Detailed information for compound 347005

Basic information

Technical information
  • TDR Targets ID: 347005
  • Name: benzyl N-[(1S)-2-(cyanomethylamino)-2-oxo-1-p henylethyl]carbamate
  • MW: 323.346 | Formula: C18H17N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.27 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCNC(=O)[C@H](c1ccccc1)NC(=O)OCc1ccccc1
  • InChi: 1S/C18H17N3O3/c19-11-12-20-17(22)16(15-9-5-2-6-10-15)21-18(23)24-13-14-7-3-1-4-8-14/h1-10,16H,12-13H2,(H,20,22)(H,21,23)/t16-/m0/s1
  • InChiKey: INDFSDFXZLRPHJ-INIZCTEOSA-N  


Substructure search Similarity search

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Synonyms

  • benzyl N-[(1S)-2-(cyanomethylamino)-2-oxo-1-phenyl-ethyl]carbamate
  • N-[(1S)-2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamic acid benzyl ester
  • phenylmethyl N-[(1S)-2-(cyanomethylamino)-2-oxo-1-phenyl-ethyl]carbamate
  • N-[(1S)-2-(cyanomethylamino)-2-keto-1-phenyl-ethyl]carbamic acid benzyl ester
  • phenylmethyl N-[(1S)-2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
  • N-[(1S)-2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamic acid phenylmethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Cathepsin K Starlite/ChEMBL References
Homo sapiens cathepsin S Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) fibroinase 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 knowlesi knowpain-3 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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Leishmania braziliensis cathepsin L-like 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
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
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
Leishmania mexicana cathepsin L-like 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
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
Trypanosoma cruzi cysteine peptidase, 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
Leishmania infantum cathepsin L-like protease 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
Theileria parva cysteine proteinase, putative 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
Echinococcus granulosus cathepsin L cysteine proteinase 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 protease 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 falciparum cysteine proteinase falcipain 3 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 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
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
Plasmodium falciparum cysteine proteinase falcipain 2a 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 cathepsin l cysteine peptidase 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
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
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) hypothetical 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
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, 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
Echinococcus multilocularis cathepsin L 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
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
Leishmania braziliensis cathepsin L-like 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain 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
Leishmania major cathepsin L-like protease 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
Neospora caninum Cathepsin L, related 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 brucei 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
Echinococcus granulosus cathepsin l1 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 major cathepsin L-like 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
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
Loa Loa (eye worm) hypothetical 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
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
Toxoplasma gondii cathepsin CPL 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) Papain cysteine protease/cathepsin propeptide inhibitor-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
Brugia malayi Cathepsin L-like precursor 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 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 cysteine peptidase A (CBA) 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
Echinococcus granulosus cathepsin l1 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
Plasmodium vivax vivapain-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
Onchocerca volvulus Cathepsin L homolog 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
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 major cathepsin L-like 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
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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
Loa Loa (eye worm) ctsf protein 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
Entamoeba histolytica 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
Onchocerca volvulus 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
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
Trypanosoma congolense 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
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 mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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 congolense 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
Trypanosoma cruzi cysteine peptidase, putative 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
Plasmodium berghei berghepain-2 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
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
Echinococcus multilocularis cathepsin l 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
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
Schistosoma mansoni cathepsin F (C01 family) 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 precursor Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-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
Onchocerca volvulus 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
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
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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 multilocularis cysteine protease 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
Echinococcus granulosus cathepsin l 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
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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Leishmania major cathepsin L-like protease 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 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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 cruzi cysteine peptidase, 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 326 aa 25.5 %
Plasmodium berghei berghepain-1 Cathepsin K   329 aa 345 aa 31.6 %
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Cathepsin K   329 aa 265 aa 26.8 %
Onchocerca volvulus Cathepsin K   329 aa 272 aa 29.0 %
Brugia malayi Papain family cysteine protease containing protein Cathepsin K   329 aa 308 aa 32.1 %
Schistosoma japonicum Disco-interacting protein 2 homolog B, putative Cathepsin K   329 aa 342 aa 36.5 %
Plasmodium falciparum cysteine proteinase falcipain 1 Cathepsin K   329 aa 348 aa 32.8 %
Trypanosoma congolense cysteine peptidase C (CPC) Cathepsin K   329 aa 268 aa 27.2 %
Leishmania donovani cysteine peptidase C (CPC) Cathepsin K   329 aa 264 aa 29.9 %
Schistosoma japonicum ko:K01365 cathepsin L [EC3.4.22.15], putative Cathepsin K   329 aa 322 aa 41.9 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 363 aa 25.1 %
Theileria parva cysteine proteinase, putative Cathepsin K   329 aa 331 aa 26.9 %
Echinococcus granulosus cathepsin b Cathepsin K   329 aa 268 aa 24.6 %
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Cathepsin K   329 aa 265 aa 26.4 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 351 aa 24.8 %
Trypanosoma cruzi cysteine peptidase C (CPC), putative Cathepsin K   329 aa 264 aa 28.8 %
Drosophila melanogaster CG6347 gene product from transcript CG6347-RA Cathepsin K   329 aa 305 aa 36.4 %
Trypanosoma cruzi cysteine protease, putative Cathepsin K   329 aa 318 aa 31.4 %
Giardia lamblia Cathepsin B precursor Cathepsin K   329 aa 278 aa 28.8 %
Plasmodium yoelii cathepsin c precursor Cathepsin K   329 aa 292 aa 23.3 %
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Cathepsin K   329 aa 317 aa 26.5 %
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Cathepsin K   329 aa 270 aa 26.7 %
Trypanosoma brucei cysteine peptidase C (CPC) Cathepsin K   329 aa 270 aa 26.7 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 363 aa 25.1 %
Plasmodium yoelii cysteine proteinase precursor Cathepsin K   329 aa 345 aa 29.9 %
Plasmodium falciparum dipeptidyl aminopeptidase 2 Cathepsin K   329 aa 269 aa 27.1 %
Echinococcus granulosus cathepsin L Cathepsin K   329 aa 356 aa 37.4 %
Babesia bovis cysteine protease 2 Cathepsin K   329 aa 343 aa 30.3 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 363 aa 25.1 %
Onchocerca volvulus Cathepsin K   329 aa 311 aa 37.3 %
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Cathepsin K   329 aa 279 aa 28.0 %
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Cathepsin K   329 aa 264 aa 29.9 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 369 aa 24.7 %
Onchocerca volvulus Cathepsin K   329 aa 324 aa 40.7 %
Onchocerca volvulus Cathepsin K   329 aa 319 aa 41.7 %
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Cathepsin K   329 aa 299 aa 24.7 %
Plasmodium knowlesi dipeptidyl aminopeptidase 1, putative Cathepsin K   329 aa 277 aa 25.3 %
Trypanosoma congolense cysteine peptidase C (CPC) Cathepsin K   329 aa 264 aa 29.2 %
Trypanosoma congolense cysteine peptidase C (CPC) Cathepsin K   329 aa 276 aa 26.4 %
Dictyostelium discoideum hypothetical protein Cathepsin K   329 aa 338 aa 34.9 %
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) Cathepsin K   329 aa 319 aa 44.5 %
Echinococcus multilocularis cathepsin L Cathepsin K   329 aa 316 aa 31.3 %
Trypanosoma congolense cysteine peptidase C (CPC) Cathepsin K   329 aa 268 aa 27.2 %
Toxoplasma gondii cathepsin B Cathepsin K   329 aa 290 aa 26.6 %
Schistosoma mansoni SmCL2-like peptidase (C01 family) Cathepsin K   329 aa 318 aa 31.1 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 310 aa 24.2 %
Trypanosoma congolense cysteine peptidase C (CPC) Cathepsin K   329 aa 268 aa 27.2 %
Giardia lamblia Cathepsin L precursor Cathepsin K   329 aa 290 aa 31.4 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 380 aa 23.2 %
Giardia lamblia Cathepsin B precursor Cathepsin K   329 aa 299 aa 27.4 %
Echinococcus granulosus cathepsin L Cathepsin K   329 aa 316 aa 32.0 %
Onchocerca volvulus Cathepsin L homolog Cathepsin K   329 aa 316 aa 45.3 %
Onchocerca volvulus Cathepsin K   329 aa 298 aa 31.9 %
Brugia malayi cathepsin B-like cysteine proteinase Cathepsin K   329 aa 375 aa 24.3 %
Babesia bovis cathepsin C precursor, putative Cathepsin K   329 aa 269 aa 25.3 %
Echinococcus granulosus cathepsin L cysteine protease Cathepsin K   329 aa 328 aa 47.9 %
Theileria parva cysteine proteinase, putative Cathepsin K   329 aa 330 aa 32.1 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin K   329 aa 333 aa 32.1 %
Toxoplasma gondii cathepsin CPC1 Cathepsin K   329 aa 351 aa 23.6 %
Onchocerca volvulus Protein MCM10 homolog Cathepsin K   329 aa 302 aa 35.4 %
Plasmodium vivax vivapain-3 Cathepsin K   329 aa 327 aa 35.5 %
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Cathepsin K   329 aa 265 aa 26.0 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 362 aa 25.1 %
Trypanosoma congolense cysteine peptidase C (CPC) Cathepsin K   329 aa 268 aa 27.2 %
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin K   329 aa 323 aa 34.4 %
Trypanosoma cruzi cysteine peptidase C (CPC), putative Cathepsin K   329 aa 264 aa 28.4 %
Giardia lamblia Cathepsin L precursor Cathepsin K   329 aa 291 aa 33.7 %
Babesia bovis papain family cysteine protease containing protein Cathepsin K   329 aa 331 aa 32.3 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin K   329 aa 333 aa 32.1 %
Schistosoma mansoni cathepsin S (C01 family) Cathepsin K   329 aa 309 aa 34.6 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 328 aa 25.9 %
Echinococcus multilocularis cathepsin L Cathepsin K   329 aa 354 aa 37.3 %
Neospora caninum hypothetical protein Cathepsin K   329 aa 381 aa 24.9 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 296 aa 24.7 %
Plasmodium knowlesi knowpain-1 Cathepsin K   329 aa 353 aa 28.6 %
Entamoeba histolytica cysteine protease, putative Cathepsin K   329 aa 328 aa 27.7 %
Dictyostelium discoideum cathepsin L-like proteinase Cathepsin K   329 aa 319 aa 37.9 %
Dictyostelium discoideum hypothetical protein Cathepsin K   329 aa 349 aa 33.5 %
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin K   329 aa 323 aa 34.4 %
Theileria parva cysteine proteinase, putative Cathepsin K   329 aa 330 aa 28.5 %
Schistosoma mansoni SmCB2 peptidase (C01 family) Cathepsin K   329 aa 290 aa 30.0 %
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Cathepsin K   329 aa 274 aa 27.7 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin S 281 aa 226 aa 34.1 %
Onchocerca volvulus Cathepsin K   329 aa 310 aa 40.6 %
Echinococcus granulosus cysteine protease Cathepsin K   329 aa 328 aa 46.6 %
Loa Loa (eye worm) hypothetical protein Cathepsin K   329 aa 277 aa 27.4 %
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 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi cathepsin L-like precursor 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Echinococcus granulosus cathepsin l1 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0054 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Toxoplasma gondii cathepsin CPL 0.0054 1 0.5
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) fibroinase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.3182 0.3182
Echinococcus multilocularis cysteine protease 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0054 1 1
Leishmania major cysteine peptidase A (CPA) 0.0054 1 0.5
Echinococcus granulosus cathepsin l1 0.0036 0.3182 0.3182
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Entamoeba histolytica cysteine protease, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Onchocerca volvulus 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) cysteine protease 0.0054 1 1
Echinococcus multilocularis cysteine protease 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) ctsf protein 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0036 0.3182 0.3182
Onchocerca volvulus Cathepsin F homolog 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Onchocerca volvulus 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3.5 uM Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate ChEMBL. 16302794
Ki (binding) = 17 uM Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate ChEMBL. 16302794
Ki (binding) = 88 uM Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate ChEMBL. 16302794
Ki (binding) > 150 uM Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate ChEMBL. 16302794
Ki app (binding) = 3.5 uM Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate ChEMBL. 16302794
Ki app (binding) = 17 uM Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate ChEMBL. 16302794
Ki app (binding) = 88 uM Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate ChEMBL. 16302794
Ki app (binding) > 150 uM Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate ChEMBL. 16302794

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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