Detailed information for compound 169985

Basic information

Technical information
  • TDR Targets ID: 169985
  • Name: pyridin-3-ylmethyl N-[(2S)-4-methyl-1-oxo-1-[ [(3S)-2-oxo-5-phenyl-1-(3-phenylpropylsulfany l)pentan-3-yl]amino]pentan-2-yl]carbamate
  • MW: 575.761 | Formula: C33H41N3O4S
  • H donors: 2 H acceptors: 4 LogP: 6.53 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)CSCCCc1ccccc1)CCc1ccccc1)NC(=O)OCc1cccnc1)C
  • InChi: 1S/C33H41N3O4S/c1-25(2)21-30(36-33(39)40-23-28-15-9-19-34-22-28)32(38)35-29(18-17-27-13-7-4-8-14-27)31(37)24-41-20-10-16-26-11-5-3-6-12-26/h3-9,11-15,19,22,25,29-30H,10,16-18,20-21,23-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,30-/m0/s1
  • InChiKey: ZFHURWWCUFDMNR-KYJUHHDHSA-N  


Substructure search Similarity search

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Synonyms

  • 3-pyridylmethyl N-[(1S)-3-methyl-1-[[(1S)-2-oxo-1-phenethyl-3-(3-phenylpropylsulfanyl)propyl]carbamoyl]butyl]carbamate
  • N-[(1S)-3-methyl-1-[oxo-[[(1S)-2-oxo-1-phenethyl-3-(3-phenylpropylthio)propyl]amino]methyl]butyl]carbamic acid 3-pyridylmethyl ester
  • N-[(1S)-1-[[(1S)-2-keto-1-phenethyl-3-(3-phenylpropylthio)propyl]carbamoyl]-3-methyl-butyl]carbamic acid 3-pyridylmethyl ester
  • 3-pyridylmethyl N-[(1S)-3-methyl-1-[[(1S)-2-oxo-1-(2-phenylethyl)-3-(3-phenylpropylsulfanyl)propyl]carbamoyl]butyl]carbamate
  • N-[(1S)-3-methyl-1-[oxo-[[(1S)-2-oxo-1-(2-phenylethyl)-3-(3-phenylpropylthio)propyl]amino]methyl]butyl]carbamic acid 3-pyridylmethyl ester
  • N-[(1S)-1-[[(1S)-2-keto-1-(2-phenylethyl)-3-(3-phenylpropylthio)propyl]carbamoyl]-3-methyl-butyl]carbamic acid 3-pyridylmethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin B Starlite/ChEMBL References
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL References
Homo sapiens cathepsin L Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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
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 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical protein 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 cruzi cruzipain precursor, 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
Echinococcus multilocularis cathepsin l cysteine peptidase 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
Brugia malayi Cathepsin L-like precursor 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, 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 japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin B 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
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, papain-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
Trypanosoma cruzi cysteine peptidase C (CPC), putative 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
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
Loa Loa (eye worm) hypothetical protein 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
Cryptosporidium hominis cryptopain 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
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
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
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
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 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 C (CPC) 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
Plasmodium berghei berghepain-2 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
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Cathepsin F homolog 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, 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 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 cathepsin L-like protease 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
Neospora caninum Cathepsin L, related 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
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana cathepsin L-like protease, 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
Loa Loa (eye worm) fibroinase 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
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 infantum cathepsin L-like protease 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 cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) ctsf protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 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
Plasmodium yoelii berghepain-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
Brugia malayi Cathepsin L-like precursor 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
Leishmania mexicana 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
Trypanosoma brucei 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Papain family cysteine protease containing protein 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
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana cysteine peptidase A (CBA) 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, 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
Leishmania mexicana cathepsin L-like 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
Brugia malayi Cathepsin L-like cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Cathepsin L homolog 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
Leishmania major cathepsin L-like protease 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
Loa Loa (eye worm) hypothetical protein 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 Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana 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 donovani cysteine peptidase C (CPC) 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
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, papain-like cysteine peptidase 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 congolense 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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 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 C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei 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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL 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
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
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
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, 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
Plasmodium vivax vivapain-2 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
Plasmodium vivax vivapain-2 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 congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania braziliensis cysteine peptidase A (CPA) 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
Plasmodium falciparum cysteine proteinase falcipain 2b 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
Entamoeba histolytica cysteine proteinase, 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
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase 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
Neospora caninum Cathepsin B-like protease (Precursor), related 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
Schistosoma japonicum expressed protein 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
Schistosoma mansoni cathepsin F (C01 family) 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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, papain-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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Trypanosoma cruzi cysteine peptidase, putative 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
Plasmodium falciparum cysteine proteinase falcipain 3 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
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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 B-like cysteine peptidase 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
Theileria parva cysteine protease, putative 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, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin B-like cysteine proteinase 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
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
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Plasmodium knowlesi knowpain-4 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
Leishmania braziliensis 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 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
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin l1 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
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) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 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
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
Trypanosoma congolense cysteine peptidase C (CPC) 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
Trypanosoma cruzi cysteine peptidase, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cathepsin L-like precursor 0.0052 0.1575 0.1575
Leishmania major cathepsin L-like protease 0.0109 0.5486 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Onchocerca volvulus 0.0052 0.1575 1
Toxoplasma gondii cathepsin B 0.0063 0.2351 1
Schistosoma mansoni cathepsin F (C01 family) 0.0037 0.0501 0.0501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.1575 0.6698
Plasmodium vivax vivapain-2 0.0052 0.1575 1
Trypanosoma cruzi cysteine peptidase, putative 0.0109 0.5486 0.5486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Onchocerca volvulus 0.0052 0.1575 1
Echinococcus granulosus cathepsin l1 0.0052 0.1575 0.1575
Echinococcus granulosus cathepsin l cysteine peptidase 0.0052 0.1575 0.1575
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Loa Loa (eye worm) cysteine protease 0.0052 0.1575 0.113
Loa Loa (eye worm) cathepsin B 0.0063 0.2351 0.1948
Brugia malayi Cathepsin L-like precursor 0.0052 0.1575 0.1575
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.1575 0.113
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0175 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Onchocerca volvulus Cathepsin L homolog 0.0052 0.1575 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3265 0.291
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.1575 0.1575
Loa Loa (eye worm) hypothetical protein 0.0077 0.3265 0.291
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Trypanosoma cruzi cysteine peptidase, putative 0.0109 0.5486 0.5486
Brugia malayi Cathepsin L-like precursor 0.0052 0.1575 0.1575
Echinococcus multilocularis serotonin receptor 0.0077 0.3265 0.3265
Trypanosoma cruzi major cysteine proteinase, putative 0.007 0.2838 0.2838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0037 0.0501 0.0501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0501 0.2131
Echinococcus granulosus cathepsin L cysteine proteinase 0.0052 0.1575 0.1575
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Echinococcus multilocularis serotonin receptor 0.0077 0.3265 0.3265
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.1575 0.1575
Trypanosoma cruzi cysteine peptidase, putative 0.0109 0.5486 0.5486
Echinococcus multilocularis cysteine protease 0.0052 0.1575 0.1575
Brugia malayi cathepsin L-like precursor 0.0037 0.0501 0.0501
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Onchocerca volvulus 0.0052 0.1575 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0077 0.3265 0.3265
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Brugia malayi Cathepsin L-like precursor 0.0052 0.1575 0.1575
Brugia malayi Cathepsin L-like precursor 0.0037 0.0501 0.0501
Echinococcus multilocularis cysteine protease 0.0052 0.1575 0.1575
Loa Loa (eye worm) ctsf protein 0.0052 0.1575 0.113
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Giardia lamblia Cathepsin B precursor 0.0063 0.2351 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0109 0.5486 0.5486
Giardia lamblia Cathepsin B precursor 0.0063 0.2351 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0052 0.1575 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1575 0.113
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.1575 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0063 0.2351 0.1985
Onchocerca volvulus Cathepsin F homolog 0.0052 0.1575 1
Onchocerca volvulus 0.0052 0.1575 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Onchocerca volvulus 0.0052 0.1575 1
Plasmodium vivax vivapain-2 0.0052 0.1575 1
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0501 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.1575 0.1575
Onchocerca volvulus 0.0052 0.1575 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Loa Loa (eye worm) fibroinase 0.0052 0.1575 0.113
Leishmania major cathepsin L-like protease 0.0109 0.5486 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0052 0.1575 0.113
Trypanosoma brucei cysteine peptidase C (CPC) 0.0063 0.2351 0.4286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.1575 0.1575
Brugia malayi Cathepsin L-like precursor 0.0052 0.1575 0.1575
Onchocerca volvulus Cathepsin L homolog 0.0052 0.1575 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0052 0.1575 0.6698
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0063 0.2351 0.2351
Loa Loa (eye worm) hypothetical protein 0.0175 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0063 0.2351 0.2351
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0052 0.1575 0.1575
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Schistosoma mansoni cathepsin F (C01 family) 0.0052 0.1575 0.1575
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0052 0.1575 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0052 0.1575 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0093 0.4412 0.4412
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Entamoeba histolytica cysteine proteinase, putative 0.0052 0.1575 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0175 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0175 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Brugia malayi Cathepsin L-like precursor 0.0052 0.1575 0.1575
Echinococcus granulosus cathepsin b 0.0175 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0052 0.1575 0.1575
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0501 0.2131
Onchocerca volvulus 0.0052 0.1575 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0077 0.3265 0.3265
Leishmania major cathepsin L-like protease 0.0109 0.5486 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Brugia malayi Cathepsin L-like precursor 0.0037 0.0501 0.0501
Echinococcus multilocularis cathepsin b 0.0175 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1575 0.6698
Giardia lamblia Cathepsin B precursor 0.0063 0.2351 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0052 0.1575 0.1575
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0109 0.5486 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0063 0.2351 1
Echinococcus granulosus cathepsin l1 0.0037 0.0501 0.0501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1575 0.6698
Echinococcus multilocularis cathepsin b 0.0175 1 1
Echinococcus granulosus cathepsin b 0.0175 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0175 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0175 1 1
Entamoeba histolytica cysteine protease, putative 0.0052 0.1575 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.1 nM Affinity for cysteine protease (Cruzipain) of Chagas' disease ChEMBL. 12270191
Ki (binding) = 1.1 nM Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi ChEMBL. 11806719
Ki (binding) = 1.1 nM Affinity for cysteine protease (Cruzipain) of Chagas' disease ChEMBL. 12270191
Ki (binding) = 1.1 nM Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi ChEMBL. 11806719
Ki (binding) = 144.4 nM Affinity for human Cathepsin L ChEMBL. 12270191
Ki (binding) = 144.4 nM Inhibitory activity of the compound against human Cathepsin L ChEMBL. 11806719
Ki (binding) = 144.4 nM Affinity for human Cathepsin L ChEMBL. 12270191
Ki (binding) = 144.4 nM Inhibitory activity of the compound against human Cathepsin L ChEMBL. 11806719
Ki (binding) = 1700 nM Affinity for human Cathepsin B ChEMBL. 12270191
Ki (binding) = 1700 nM Inhibitory activity of the compound against human Cathepsin B ChEMBL. 11806719
Ki (binding) = 1700 nM Affinity for human Cathepsin B ChEMBL. 12270191
Ki (binding) = 1700 nM Inhibitory activity of the compound against human Cathepsin B ChEMBL. 11806719

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

2 literature references were collected for this gene.

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