Detailed information for compound 329363

Basic information

Technical information
  • TDR Targets ID: 329363
  • Name: [1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclobu tyl]methyl N-[(3S)-1,2-dioxo-1-[[(1R)-1-pheny lethyl]amino]heptan-3-yl]carbamate
  • MW: 537.67 | Formula: C29H35N3O5S
  • H donors: 2 H acceptors: 4 LogP: 6.42 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC[C@@H](C(=O)C(=O)N[C@@H](c1ccccc1)C)NC(=O)OCC1(CCC1)CSc1nc2c(o1)cccc2
  • InChi: 1S/C29H35N3O5S/c1-3-4-13-23(25(33)26(34)30-20(2)21-11-6-5-7-12-21)31-27(35)36-18-29(16-10-17-29)19-38-28-32-22-14-8-9-15-24(22)37-28/h5-9,11-12,14-15,20,23H,3-4,10,13,16-19H2,1-2H3,(H,30,34)(H,31,35)/t20-,23+/m1/s1
  • InChiKey: XHIYFFGUTCUBCZ-OFNKIYASSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclobutyl]methyl N-[(1S)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]acetyl]pentyl]carbamate
  • N-[(1S)-1-[1,2-dioxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pentyl]carbamic acid [1-[(1,3-benzoxazol-2-ylthio)methyl]cyclobutyl]methyl ester
  • N-[(1S)-1-[2-keto-2-[[(1R)-1-phenylethyl]amino]acetyl]pentyl]carbamic acid [1-[(1,3-benzoxazol-2-ylthio)methyl]cyclobutyl]methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin K Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain precursor 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
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
Leishmania infantum cysteine peptidase A (CPA) 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 F (C01 family) 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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
Brugia malayi Papain family cysteine protease containing protein 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
Theileria parva cysteine 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 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 congolense 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
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], 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
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
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
Echinococcus multilocularis cathepsin L cysteine protease 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 precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-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
Theileria parva cysteine proteinase, 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
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, 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
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 braziliensis cathepsin L-like protease 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, 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
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
Leishmania major cysteine peptidase A (CPA) 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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL 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
Plasmodium yoelii berghepain-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
Echinococcus granulosus cathepsin l1 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
Plasmodium knowlesi knowpain-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
Loa Loa (eye worm) ctsf 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
Plasmodium knowlesi knowpain-4 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 granulosus cathepsin L cysteine proteinase 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) cysteine protease 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
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
Brugia malayi Cathepsin L-like cysteine proteinase 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
Leishmania donovani cysteine peptidase A (CBA) 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
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
Schistosoma mansoni cathepsin F (C01 family) 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
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
Trypanosoma cruzi cysteine peptidase, 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
Onchocerca volvulus Cathepsin L homolog 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
Onchocerca volvulus 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
Plasmodium vivax vivapain-2 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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Echinococcus multilocularis cathepsin L cysteine protease 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) hypothetical 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
Schistosoma japonicum expressed protein 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 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
Theileria parva cysteine proteinase, putative 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
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 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
Trypanosoma cruzi cruzipain precursor, 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
Brugia malayi Cathepsin L-like precursor 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
Entamoeba histolytica cysteine protease, 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
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
Onchocerca volvulus Cathepsin F 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
Leishmania mexicana 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
Theileria parva cysteine proteinase, putative 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
Echinococcus granulosus 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
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
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
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus 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
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
Trypanosoma brucei 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
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
Loa Loa (eye worm) fibroinase 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, 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 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 cruzi cysteine peptidase, 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
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
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 K 329 aa 349 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni aldo-keto reductase 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Echinococcus multilocularis aldo keto reductase 0.0667 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0193 0.2745 0.2745
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Onchocerca volvulus Cathepsin F homolog 0.0027 0.02 0.0137
Trichomonas vaginalis aldo-keto reductase, putative 0.0193 0.2745 0.2745
Brugia malayi NADH-dependent xylose reductase 0.0193 0.2745 0.2745
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Toxoplasma gondii aldo-keto reductase 0.0193 0.2745 0.2597
Loa Loa (eye worm) ctsf protein 0.0027 0.02 0.0137
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Leishmania major aldo-keto reductase-like protein 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.02 0.02
Entamoeba histolytica alcohol dehydrogenase, putative 0.0193 0.2745 0.2745
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.02 0.0729
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.02 0.0137
Loa Loa (eye worm) cysteine protease 0.0027 0.02 0.0137
Onchocerca volvulus 0.0027 0.02 0.0137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Giardia lamblia Aldose reductase 0.0667 1 0.5
Onchocerca volvulus 0.0193 0.2745 0.2699
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0193 0.2745 0.2745
Schistosoma mansoni aldo-keto reductase 0.0667 1 1
Entamoeba histolytica aldose reductase, putative 0.0667 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.02 0.02
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.02 0.02
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0064 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Onchocerca volvulus 0.0667 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Trichomonas vaginalis aldo/keto reductase, putative 0.0667 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0193 0.2745 0.2597
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0193 0.2745 0.2745
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Plasmodium falciparum aldehyde reductase, putative 0.0193 0.2745 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Onchocerca volvulus 0.0667 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.02 0.02
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0193 0.2745 0.2597
Onchocerca volvulus 0.0027 0.02 0.0137
Trypanosoma cruzi aldo/keto reductase, putative 0.0667 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.02 0.02
Echinococcus granulosus aldehyde reductase 0.0474 0.7042 0.7042
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0193 0.2745 0.2745
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0667 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0064 0.0064
Echinococcus granulosus cathepsin l1 0.0018 0.0064 0.0064
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Onchocerca volvulus 0.0667 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0193 0.2745 0.2745
Echinococcus multilocularis cysteine protease 0.0027 0.02 0.02
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Giardia lamblia Aldose reductase 0.0667 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0027 0.02 0.0137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0667 1 1
Onchocerca volvulus 0.0027 0.02 0.0137
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.02 0.02
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.02 0.0137
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0667 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0064 0.0064
Onchocerca volvulus 0.0027 0.02 0.0137
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Echinococcus granulosus aldo keto reductase 0.0667 1 1
Onchocerca volvulus 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.02 0.02
Echinococcus multilocularis voltage gated potassium channel subunit 0.0193 0.2745 0.2745
Brugia malayi Cathepsin L-like cysteine proteinase 0.0018 0.0064 0.0064
Trypanosoma brucei prostaglandin f synthase 0.0667 1 1
Onchocerca volvulus Cathepsin L homolog 0.0027 0.02 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Onchocerca volvulus 0.0667 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0667 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.02 0.02
Brugia malayi Cathepsin L-like precursor 0.0027 0.02 0.02
Schistosoma mansoni potassium channel beta 0.0193 0.2745 0.2745
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Plasmodium vivax vivapain-2 0.0027 0.02 0.0729
Echinococcus granulosus aldo keto reductase 0.0667 1 1
Loa Loa (eye worm) oxidoreductase 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Schistosoma mansoni pol-related 0.0667 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0193 0.2745 1
Trypanosoma brucei aldo-keto reductase, putative 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.02 0.02
Loa Loa (eye worm) fibroinase 0.0027 0.02 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Entamoeba histolytica aldose reductase, putative 0.0667 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.02 0.02
Brugia malayi Cathepsin L-like precursor 0.0027 0.02 0.02
Trichomonas vaginalis aldo/keto reductase, putative 0.0667 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.02 0.02
Entamoeba histolytica cysteine protease, putative 0.0027 0.02 0.02
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0193 0.2745 0.2745
Onchocerca volvulus 0.0667 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0667 1 1
Entamoeba histolytica aldose reductase, putative 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Onchocerca volvulus 0.0027 0.02 0.0137
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0018 0.0064 0.0064
Trypanosoma cruzi aldo-keto reductase 0.0667 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0193 0.2745 1
Mycobacterium ulcerans oxidoreductase 0.0667 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.02 0.02
Trichomonas vaginalis aldo/keto reductase, putative 0.0667 1 1
Toxoplasma gondii aldose reductase, putative 0.0667 1 1
Echinococcus granulosus cathepsin l1 0.0027 0.02 0.02
Echinococcus granulosus aldo keto reductase 0.0667 1 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0064 0.0064
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.02 0.02
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.02 0.02
Echinococcus multilocularis aldo keto reductase 0.0667 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0193 0.2745 0.2745
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0667 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0027 0.02 0.0137
Echinococcus multilocularis cysteine protease 0.0027 0.02 0.02
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0193 0.2745 0.2597
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0193 0.2745 0.2699
Onchocerca volvulus 0.0027 0.02 0.0137
Onchocerca volvulus 0.0027 0.02 0.0137
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0193 0.2745 0.2745
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0474 0.7042 0.5922
Loa Loa (eye worm) oxidoreductase 0.0667 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0193 0.2745 0.2745
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0064 0.0064
Loa Loa (eye worm) oxidoreductase 0.0667 1 1
Loa Loa (eye worm) oxidoreductase 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Plasmodium vivax aldehyde reductase, putative 0.0193 0.2745 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0667 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Plasmodium vivax vivapain-2 0.0027 0.02 0.0729
Loa Loa (eye worm) oxidoreductase 0.0667 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Echinococcus granulosus hypothetical protein 0.0667 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.02 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.02 0.0729
Leishmania major prostaglandin f synthase, putative 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Echinococcus multilocularis aldehyde reductase 0.0474 0.7042 0.7042
Echinococcus multilocularis aldo keto reductase 0.0667 1 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.02 0.02
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02
Trichomonas vaginalis aldo-keto reductase, putative 0.0667 1 1
Brugia malayi cathepsin L-like precursor 0.0018 0.0064 0.0064
Brugia malayi Cathepsin L-like precursor 0.0018 0.0064 0.0064
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0667 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0193 0.2745 0.2745
Echinococcus multilocularis aldo keto reductase 0.0667 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.02 0.0729
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0667 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.02 0.02

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 51 nM Inhibitory potency against human Cathepsin K ChEMBL. 15456249
IC50 (binding) = 51 nM Inhibitory potency against human Cathepsin K ChEMBL. 15456249

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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