Detailed information for compound 402296

Basic information

Technical information
  • TDR Targets ID: 402296
  • Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)- 4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino -3-methylpentanoyl]amino]-4-methylpentanoyl]a mino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4- oxobutanoyl]amino]acetyl]amino]propanoyl]amin o]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydr oxypropanoyl]amino]-4-methylpentanoic acid
  • MW: 987.11 | Formula: C45H70N12O13
  • H donors: 14 H acceptors: 14 LogP: -3.03 Rotable bonds: 38
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CO)Cc1ccc(cc1)O)C)CC(=O)N)Cc1nc[nH]c1)CC(C)C)N)C
  • InChi: 1S/C45H70N12O13/c1-8-24(6)37(47)44(68)55-29(13-22(2)3)40(64)53-31(16-27-18-48-21-50-27)42(66)54-32(17-35(46)60)39(63)49-19-36(61)51-25(7)38(62)52-30(15-26-9-11-28(59)12-10-26)41(65)57-34(20-58)43(67)56-33(45(69)70)14-23(4)5/h9-12,18,21-25,29-34,37,58-59H,8,13-17,19-20,47H2,1-7H3,(H2,46,60)(H,48,50)(H,49,63)(H,51,61)(H,52,62)(H,53,64)(H,54,66)(H,55,68)(H,56,67)(H,57,65)(H,69,70)/t24-,25-,29-,30-,31-,32-,33-,34-,37-/m0/s1
  • InChiKey: POXOBRAJAYYMIC-BRTYBMOYSA-N  


Substructure search Similarity search

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Synonyms

  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(3H-imidazol-4-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-oxo-butanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens major histocompatibility complex, class I, A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0099 0.0869 0.0869
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0121 0.127 0.127
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.009 0.0697 0.0697
Trypanosoma cruzi cysteine peptidase, putative 0.0099 0.0869 0.0869
Entamoeba histolytica cysteine protease, putative 0.0177 0.2328 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0281 0.4284 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0099 0.0869 0.0869
Loa Loa (eye worm) hypothetical protein 0.0281 0.4284 0.4284
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0177 0.2328 0.2328
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.009 0.0697 0.0697
Onchocerca volvulus 0.0177 0.2328 0.337
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.009 0.0697 0.0697
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Loa Loa (eye worm) fibroinase 0.0177 0.2328 0.2328
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Entamoeba histolytica cysteine proteinase, putative 0.0124 0.1333 0.3182
Toxoplasma gondii prolyl endopeptidase 0.0281 0.4284 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1333 0.1333
Echinococcus multilocularis cathepsin L cysteine protease 0.0177 0.2328 0.1753
Onchocerca volvulus 0.0177 0.2328 0.337
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Echinococcus multilocularis cathepsin L 0.0099 0.0869 0.0185
Brugia malayi prolyl oligopeptidase family protein 0.0281 0.4284 0.4284
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0177 0.2328 0.6828
Giardia lamblia Cathepsin B precursor 0.0213 0.3006 0.5
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trypanosoma cruzi oligopeptidase b 0.0121 0.127 0.127
Echinococcus granulosus prolyl endopeptidase 0.0281 0.4284 0.3856
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0213 0.3 0.2476
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0121 0.127 0.5
Onchocerca volvulus 0.0177 0.2328 0.337
Plasmodium falciparum cysteine proteinase falcipain 3 0.0177 0.2328 1
Echinococcus granulosus cathepsin b 0.0585 1 1
Brugia malayi cathepsin L-like precursor 0.0124 0.1333 0.1333
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0121 0.127 0.127
Trypanosoma brucei cysteine peptidase C (CPC) 0.0213 0.3006 0.6435
Loa Loa (eye worm) cathepsin B 0.0213 0.3006 0.3006
Brugia malayi Cathepsin L-like precursor 0.0177 0.2328 0.2328
Onchocerca volvulus 0.0177 0.2328 0.337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0177 0.2328 0.2328
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Trypanosoma cruzi cysteine proteinase, putative 0.0099 0.0869 0.0869
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Brugia malayi Cathepsin L-like precursor 0.0124 0.1333 0.1333
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0213 0.3 0.5649
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0238 0.3485 1
Brugia malayi Cathepsin L-like precursor 0.0177 0.2328 0.2328
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0585 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 0.0869 0.0479
Onchocerca volvulus Cathepsin L homolog 0.0177 0.2328 0.337
Schistosoma mansoni cathepsin F (C01 family) 0.0124 0.1333 0.1333
Trypanosoma brucei oligopeptidase b 0.0121 0.127 0.1599
Brugia malayi Papain family cysteine protease containing protein 0.0099 0.0869 0.0869
Echinococcus granulosus cathepsin b 0.0585 1 1
Echinococcus granulosus cathepsin l1 0.0124 0.1333 0.0684
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0585 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0177 0.2328 0.2328
Brugia malayi prolyl oligopeptidase family protein 0.009 0.0697 0.0697
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0585 1 1
Brugia malayi Cathepsin L-like precursor 0.0177 0.2328 0.2328
Trypanosoma cruzi cysteine protease, putative 0.0099 0.0869 0.0869
Leishmania major oligopeptidase b 0.0121 0.127 0.1599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0281 0.4284 0.4284
Brugia malayi Cathepsin L-like cysteine proteinase 0.0124 0.1333 0.1333
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0177 0.2328 1
Brugia malayi Cathepsin L-like precursor 0.0124 0.1333 0.1333
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Leishmania major cysteine peptidase A (CPA) 0.0177 0.2328 0.4546
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Echinococcus granulosus cathepsin L 0.0099 0.0869 0.0185
Entamoeba histolytica cysteine proteinase, putative 0.0177 0.2328 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Loa Loa (eye worm) ctsf protein 0.0177 0.2328 0.2328
Loa Loa (eye worm) cysteine protease 0.0177 0.2328 0.2328
Trypanosoma cruzi cysteine peptidase, putative 0.0177 0.2328 0.2328
Trypanosoma cruzi oligopeptidase b 0.0121 0.127 0.127
Giardia lamblia Cathepsin B precursor 0.0213 0.3006 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0585 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0177 0.2328 0.1753
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Echinococcus multilocularis cysteine protease 0.0177 0.2328 0.1753
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0213 0.3006 1
Schistosoma mansoni cathepsin F (C01 family) 0.0177 0.2328 0.2328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Giardia lamblia Cathepsin B precursor 0.0213 0.3006 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0213 0.3 0.3
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0177 0.2328 0.6828
Trypanosoma cruzi cysteine proteinase, putative 0.0099 0.0869 0.0869
Trypanosoma cruzi cruzipain precursor, putative 0.0177 0.2328 0.2328
Trypanosoma cruzi cysteine peptidase, putative 0.0177 0.2328 0.2328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Onchocerca volvulus Cathepsin L homolog 0.0177 0.2328 0.337
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Onchocerca volvulus 0.0177 0.2328 0.337
Brugia malayi Cathepsin L-like precursor 0.0177 0.2328 0.2328
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Echinococcus multilocularis cysteine protease 0.0177 0.2328 0.1753
Entamoeba histolytica cysteine proteinase, putative 0.0177 0.2328 1
Echinococcus granulosus cathepsin l1 0.0177 0.2328 0.1753
Plasmodium vivax vivapain-2 0.0177 0.2328 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0281 0.4284 0.4284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0177 0.2328 0.1753
Brugia malayi Papain family cysteine protease containing protein 0.0099 0.0869 0.0869
Plasmodium vivax vivapain-3 0.0099 0.0869 0.3731
Plasmodium vivax vivapain-1 0.0099 0.0869 0.3731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0213 0.3006 0.3006
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Onchocerca volvulus 0.0177 0.2328 0.337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Trypanosoma cruzi prolyl endopeptidase 0.0281 0.4284 0.4284
Loa Loa (eye worm) prolyl oligopeptidase 0.0213 0.3 0.3
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0124 0.1333 0.1333
Schistosoma mansoni cathepsin F (C01 family) 0.0177 0.2328 0.2328
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 0.0869 0.0479
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0177 0.2328 0.1753
Onchocerca volvulus Cathepsin F homolog 0.0177 0.2328 0.337
Toxoplasma gondii cathepsin CPL 0.0177 0.2328 0.4546
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0099 0.0869 0.0869
Onchocerca volvulus Prolyl endopeptidase homolog 0.0281 0.4284 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0213 0.3006 0.3006
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0585 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Loa Loa (eye worm) hypothetical protein 0.0585 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1333 0.1333
Onchocerca volvulus 0.0177 0.2328 0.337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0124 0.1333 0.2172
Echinococcus multilocularis cathepsin b 0.0585 1 1
Echinococcus multilocularis cathepsin b 0.0585 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1333 0.1333
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0177 0.2328 0.4546
Trypanosoma brucei prolyl endopeptidase 0.0281 0.4284 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0099 0.0869 0.0869
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0121 0.127 0.1599
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0213 0.3 0.2476
Brugia malayi Papain family cysteine protease containing protein 0.0177 0.2328 0.2328
Brugia malayi prolyl oligopeptidase family protein 0.0213 0.3 0.3
Brugia malayi Cathepsin L-like precursor 0.0177 0.2328 0.2328
Trypanosoma cruzi cysteine peptidase, putative 0.0177 0.2328 0.2328
Trypanosoma brucei prolyl oligopeptidase, putative 0.0121 0.127 0.1599
Brugia malayi Cathepsin L-like precursor 0.0177 0.2328 0.2328
Echinococcus granulosus cathepsin L cysteine proteinase 0.0177 0.2328 0.1753
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0177 0.2328 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Echinococcus multilocularis prolyl endopeptidase 0.0281 0.4284 0.3856
Plasmodium vivax vivapain-2 0.0177 0.2328 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0121 0.127 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0124 0.1333 0.2172
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0177 0.2328 0.6828
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0121 0.127 0.1599
Loa Loa (eye worm) hypothetical protein 0.0177 0.2328 0.2328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0177 0.2328 0.6828
Leishmania major cathepsin L-like protease 0.0177 0.2328 0.4546
Echinococcus granulosus cathepsin l cysteine peptidase 0.0177 0.2328 0.1753
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0213 0.3006 0.6435
Echinococcus granulosus cathepsin L cysteine protease 0.0099 0.0869 0.0185
Toxoplasma gondii cathepsin B 0.0213 0.3006 0.6435
Plasmodium vivax unspecified product 0.0099 0.0869 0.3731
Echinococcus granulosus cysteine protease 0.0099 0.0869 0.0185

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.127 MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV) ChEMBL. 11606121
Log IC50 (binding) = 7.127 MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV) ChEMBL. 11606121

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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