Detailed information for compound 1659186

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 515.648 | Formula: C24H29N5O4S2
  • H donors: 1 H acceptors: 6 LogP: 2.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#CC1(CC1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2c(s1)cc(cc2)S(=O)(=O)C
  • InChi: 1S/C24H29N5O4S2/c1-35(32,33)16-6-7-19-20(14-16)34-23(26-19)29-12-10-28(11-13-29)22(31)18-5-3-2-4-17(18)21(30)27-24(15-25)8-9-24/h6-7,14,17-18H,2-5,8-13H2,1H3,(H,27,30)/t17-,18-/m1/s1
  • InChiKey: MSHULPIKNRKAQH-QZTJIDSGSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin L Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References
Homo sapiens cathepsin B Starlite/ChEMBL References
Homo sapiens cathepsin K Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) ctsf protein Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum cysteine proteinase falcipain 2b Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Entamoeba histolytica cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin L cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Plasmodium knowlesi knowpain-4 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Theileria parva cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cruzipain precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) fibroinase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Plasmodium falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain precursor Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin L 333 aa 359 aa 30.1 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin K 329 aa 349 aa 33.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Schistosoma mansoni survival motor neuron protein 0.0052 0.093 0.1322
Loa Loa (eye worm) cysteine protease 0.0059 0.1256 0.1256
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0065 0.1516 1
Schistosoma mansoni hypothetical protein 0.0052 0.093 0.1322
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0059 0.1256 0.8189
Brugia malayi Cytochrome P450 family protein 0.0064 0.148 0.148
Trypanosoma cruzi cruzipain precursor, putative 0.0059 0.1256 0.1928
Entamoeba histolytica cysteine proteinase, putative 0.0059 0.1256 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0059 0.1256 0.1186
Entamoeba histolytica cysteine protease, putative 0.0059 0.1256 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0059 0.1256 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0059 0.1256 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Schistosoma mansoni single-minded 0.0052 0.095 0.1353
Loa Loa (eye worm) fibroinase 0.0059 0.1256 0.1256
Trypanosoma cruzi cysteine peptidase, putative 0.0059 0.1256 0.1928
Brugia malayi hypoxia-induced factor 1 0.0161 0.5861 0.5861
Echinococcus multilocularis cysteine protease 0.0059 0.1256 0.1186
Brugia malayi Cathepsin L-like precursor 0.0059 0.1256 0.1256
Onchocerca volvulus 0.0052 0.093 0.644
Onchocerca volvulus 0.0041 0.0454 0.1234
Schistosoma mansoni cathepsin F (C01 family) 0.0059 0.1256 0.1828
Entamoeba histolytica cysteine proteinase, putative 0.0059 0.1256 1
Onchocerca volvulus 0.0059 0.1256 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Brugia malayi cathepsin B-like cysteine proteinase 0.0176 0.6515 0.6515
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Echinococcus multilocularis cathepsin L cysteine protease 0.0059 0.1256 0.1186
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0065 0.1516 0.2232
Brugia malayi Cathepsin L-like precursor 0.0041 0.0454 0.0454
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Echinococcus multilocularis survival motor neuron protein 1 0.0253 1 1
Onchocerca volvulus 0.0059 0.1256 1
Schistosoma mansoni cathepsin F (C01 family) 0.0059 0.1256 0.1828
Brugia malayi hypothetical protein 0.0175 0.647 0.647
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0341 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Loa Loa (eye worm) cathepsin B 0.0065 0.1516 0.1516
Brugia malayi Cathepsin L-like precursor 0.0059 0.1256 0.1256
Echinococcus granulosus cathepsin L cysteine proteinase 0.0059 0.1256 0.1186
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.0454 0.0582
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0341 0.0263
Giardia lamblia Cathepsin B precursor 0.0065 0.1516 0.5
Loa Loa (eye worm) hypothetical protein 0.0176 0.6515 0.6515
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0041 0.0454 0.0697
Echinococcus granulosus survival motor neuron protein 1 0.0253 1 1
Brugia malayi cathepsin L-like precursor 0.0041 0.0454 0.0454
Giardia lamblia Cathepsin B precursor 0.0065 0.1516 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0059 0.1256 0.1186
Trypanosoma cruzi cysteine proteinase, putative 0.0033 0.008 0.0122
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0341 0.0341
Echinococcus granulosus single minded 2 0.0039 0.0341 0.0263
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Brugia malayi PAS domain containing protein 0.0052 0.095 0.095
Onchocerca volvulus 0.0059 0.1256 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trypanosoma cruzi cysteine peptidase, putative 0.0059 0.1256 0.1928
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trypanosoma brucei cysteine peptidase C (CPC) 0.0065 0.1516 1
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Brugia malayi Cathepsin L-like precursor 0.0059 0.1256 0.1256
Onchocerca volvulus 0.0059 0.1256 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0059 0.1256 1
Toxoplasma gondii cathepsin B 0.0065 0.1516 1
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0176 0.6515 1
Trypanosoma cruzi cysteine peptidase, putative 0.0059 0.1256 0.1928
Plasmodium vivax vivapain-2 0.0059 0.1256 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0059 0.1256 0.1186
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0033 0.008 0.0122
Brugia malayi Cathepsin L-like precursor 0.0041 0.0454 0.0454
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Brugia malayi Cathepsin L-like precursor 0.0059 0.1256 0.1256
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0059 0.1256 0.1256
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.0454 0.3182
Echinococcus granulosus cathepsin b 0.0176 0.6515 0.6487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0454 0.2606
Brugia malayi Cathepsin L-like precursor 0.0059 0.1256 0.1256
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.008 0.0122
Onchocerca volvulus Cathepsin L homolog 0.0059 0.1256 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0052 0.095 0.1353
Loa Loa (eye worm) hypothetical protein 0.0175 0.647 0.647
Trypanosoma cruzi cysteine proteinase, putative 0.0033 0.008 0.0122
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0065 0.1516 1
Brugia malayi Papain family cysteine protease containing protein 0.0059 0.1256 0.1256
Echinococcus multilocularis cysteine protease 0.0059 0.1256 0.1186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.008 0.0525
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Giardia lamblia Cathepsin B precursor 0.0065 0.1516 0.5
Echinococcus granulosus cathepsin l1 0.0059 0.1256 0.1186
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.093 0.093
Trypanosoma cruzi cysteine peptidase, putative 0.0059 0.1256 0.1928
Echinococcus granulosus cathepsin b 0.0176 0.6515 0.6487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Onchocerca volvulus Cathepsin L homolog 0.0059 0.1256 1
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Leishmania major cathepsin L-like protease 0.0059 0.1256 0.8284
Leishmania major cysteine peptidase A (CPA) 0.0059 0.1256 0.8284
Trypanosoma cruzi cysteine protease, putative 0.0033 0.008 0.0122
Echinococcus multilocularis cathepsin b 0.0176 0.6515 0.6487
Brugia malayi Cathepsin L-like cysteine proteinase 0.0041 0.0454 0.0454
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0059 0.1256 0.8189
Echinococcus multilocularis cathepsin b 0.0176 0.6515 0.6487
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.008 0.008
Onchocerca volvulus 0.0059 0.1256 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0454 0.2606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0065 0.1516 0.2327
Loa Loa (eye worm) hypothetical protein 0.0041 0.0454 0.0454
Loa Loa (eye worm) ctsf protein 0.0059 0.1256 0.1256
Plasmodium vivax vivapain-2 0.0059 0.1256 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0176 0.6515 1
Onchocerca volvulus 0.0059 0.1256 1
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.008 0.008
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0176 0.6515 1
Echinococcus granulosus cathepsin l1 0.0041 0.0454 0.0377
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0176 0.6515 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0059 0.1256 0.1186
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.1256 0.8189
Onchocerca volvulus 0.0059 0.1256 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Loa Loa (eye worm) hypothetical protein 0.0041 0.0454 0.0454
Loa Loa (eye worm) hypoxia-induced factor 1 0.0161 0.5861 0.5861
Loa Loa (eye worm) hypothetical protein 0.0059 0.1256 0.1256
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0059 0.1256 0.8189
Brugia malayi Cathepsin L-like precursor 0.0059 0.1256 0.1256
Loa Loa (eye worm) hypothetical protein 0.0041 0.0454 0.0454
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0059 0.1256 0.1256
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0176 0.6515 1
Onchocerca volvulus Cathepsin F homolog 0.0059 0.1256 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0059 0.1256 0.8284
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0033 0.008 0.0525
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.148 0.148

Activities

Activity type Activity value Assay description Source Reference
Fu (ADMET) = 42 % Fraction unbound in human plasma ChEMBL. 22858142
IC50 (binding) > 4 Inhibition of human recombinant cathepsin S using Z-Val-Val-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay ChEMBL. 22858142
IC50 (binding) > 4 Inhibition of human ERG ChEMBL. 22858142
IC50 (ADMET) > 4.5 Inhibition of CYP2C19 ChEMBL. 22858142
IC50 (ADMET) > 4.5 Inhibition of CYP1A2 ChEMBL. 22858142
IC50 (binding) = 5 Inhibition of human recombinant cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay ChEMBL. 22858142
IC50 (binding) = 5.1 Inhibition of human recombinant cathepsin B using Z-Arg-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay ChEMBL. 22858142
IC50 (ADMET) = 5.1 Inhibition of CYP2C9 ChEMBL. 22858142
IC50 (ADMET) = 6.2 Inhibition of CYP3A4 ChEMBL. 22858142
IC50 (ADMET) = 6.2 Inhibition of CYP2D6 ChEMBL. 22858142
IC50 (binding) = 7.6 Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay ChEMBL. 22858142

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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