Detailed information for compound 1572501

Basic information

Technical information
  • TDR Targets ID: 1572501
  • Name: (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamid o-3-methylbutanoyl]amino]-3-(3H-imidazol-4-yl )propanoyl]amino]propanoyl]amino]acetyl]-N-[1 -[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]cy clopentyl]pyrrolidine-2-carboxamide
  • MW: 702.802 | Formula: C32H50N10O8
  • H donors: 8 H acceptors: 9 LogP: -1.34 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(CCCC1)C(=O)N[C@H](C(=O)N)C)C)Cc1nc[nH]c1)C(C)C
  • InChi: 1S/C32H50N10O8/c1-17(2)25(39-20(5)43)30(49)40-22(13-21-14-34-16-36-21)28(47)37-19(4)27(46)35-15-24(44)42-12-8-9-23(42)29(48)41-32(10-6-7-11-32)31(50)38-18(3)26(33)45/h14,16-19,22-23,25H,6-13,15H2,1-5H3,(H2,33,45)(H,34,36)(H,35,46)(H,37,47)(H,38,50)(H,39,43)(H,40,49)(H,41,48)/t18-,19-,22-,23-,25-/m0/s1
  • InChiKey: YHDALKZPBBZCRM-DYJOPPPLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]cyclopentyl]pyrrolidine-2-carboxamide
  • (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-3-(3H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-N-[1-[[[(1S)-2-amino-1-methyl-2-oxoethyl]amino]-oxomethyl]cyclopentyl]-2-pyrrolidinecarboxamide
  • (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]cyclopentyl]pyrrolidine-2-carboxamide
  • (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]ethanoyl]-N-[1-[[(2S)-1-amino-1-oxo-propan-2-yl]carbamoyl]cyclopentyl]pyrrolidine-2-carboxamide
  • AIDS-154172
  • AIDS154172
  • Ac-Val-His-Ala-Gly-Pro-2-aminocyclopentanecarboxylate-Ala-NH2
  • Ac-Val-His-Ala-Gly-Pro-Acp-Ala-NH2

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1025 0.2644 0.5329
Plasmodium vivax vivapain-2 0.189 0.4897 1
Brugia malayi fibroinase precursor 0.0435 0.1107 0.1107
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0435 0.1107 0.2144
Echinococcus granulosus GPCR family 2 0.0017 0.0018 0.0018
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0018 0.0018
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.013 0.0118
Trypanosoma brucei cysteine peptidase C (CPC) 0.1491 0.3858 0.7846
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0004 0.0003
Brugia malayi cathepsin L-like precursor 0.13 0.3361 0.3361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Echinococcus multilocularis cathepsin L 0.0435 0.1107 0.1107
Loa Loa (eye worm) ctsf protein 0.189 0.4897 0.4897
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0435 0.1107 0.1104
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0004 0.0004
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0004 0.0003
Schistosoma mansoni cpg binding protein 0.0033 0.0062 0.0058
Brugia malayi Cathepsin L-like cysteine proteinase 0.13 0.3361 0.3361
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0073 0.007
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.189 0.4897 1
Schistosoma mansoni cathepsin S (C01 family) 0.0435 0.1107 0.1104
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Schistosoma mansoni cpg binding protein 0.0032 0.0057 0.0053
Loa Loa (eye worm) fibroinase 0.189 0.4897 0.4897
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Brugia malayi ecdysteroid receptor 0.0011 0.0004 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0004 0.0003
Onchocerca volvulus 0.0038 0.0073 0.0142
Schistosoma mansoni cathepsin F (C01 family) 0.13 0.3361 0.3358
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Trichomonas vaginalis conserved hypothetical protein 0.0435 0.1107 0.2144
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0435 0.1107 0.1104
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0004 0.0003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0018 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0435 0.1107 0.2144
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.1025 0.2644 0.2641
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0435 0.1107 0.2144
Echinococcus multilocularis cathepsin L 0.1025 0.2644 0.2643
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0435 0.1107 0.2144
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0068
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0435 0.1107 0.1107
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Echinococcus multilocularis cathepsin b 0.385 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.1025 0.2644 0.2589
Echinococcus multilocularis cathepsin l cysteine peptidase 0.189 0.4897 0.4897
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0435 0.1107 0.2144
Onchocerca volvulus 0.189 0.4897 1
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1025 0.2644 0.5329
Onchocerca volvulus 0.189 0.4897 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.0366 0.0606
Onchocerca volvulus 0.189 0.4897 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.1025 0.2644 0.4054
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0091 0.0037
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0073 0.0073
Echinococcus multilocularis cathepsin L cysteine protease 0.189 0.4897 0.4897
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Echinococcus granulosus cysteine protease 0.1025 0.2644 0.2643
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0435 0.1107 0.1104
Mycobacterium leprae Probable lipase LipE 0.0038 0.0073 0.5
Loa Loa (eye worm) cathepsin B 0.1491 0.3858 0.3858
Toxoplasma gondii cathepsin CPL 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1491 0.3858 0.7846
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0435 0.1107 0.1104
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0018 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0435 0.1107 0.2144
Trichomonas vaginalis conserved hypothetical protein 0.0435 0.1107 0.2144
Echinococcus multilocularis cathepsin l cysteine peptidase 0.189 0.4897 0.4897
Plasmodium vivax serine-repeat antigen (SERA) 0.0435 0.1107 0.2144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Echinococcus granulosus cpg binding protein 0.0033 0.0062 0.0061
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0004 0.0004
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.0366 0.0606
Mycobacterium tuberculosis Conserved hypothetical protein 0.0167 0.041 0.6343
Plasmodium vivax vivapain-1 0.1025 0.2644 0.5329
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0004 0.0004
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0317 0.08 0.0732
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Onchocerca volvulus 0.0435 0.1107 0.2256
Brugia malayi Papain family cysteine protease containing protein 0.0435 0.1107 0.1107
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0018 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0435 0.1107 0.2144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.1025 0.2644 0.2641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0435 0.1107 0.2144
Brugia malayi Cathepsin L-like precursor 0.189 0.4897 0.4897
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Brugia malayi Cathepsin L-like precursor 0.13 0.3361 0.3361
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0091 0.0018
Toxoplasma gondii cathepsin CPC2 0.0435 0.1107 0.2144
Toxoplasma gondii cathepsin B 0.1491 0.3858 0.7846
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.0073
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Entamoeba histolytica cysteine proteinase, putative 0.13 0.3361 0.5946
Entamoeba histolytica cysteine protease, putative 0.189 0.4897 1
Schistosoma mansoni cathepsin s 0.059 0.1511 0.1508
Entamoeba histolytica cysteine proteinase, putative 0.189 0.4897 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0435 0.1107 0.2144
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0435 0.1107 0.2144
Schistosoma mansoni cathepsin F (C01 family) 0.189 0.4897 0.4895
Loa Loa (eye worm) cysteine protease 0.189 0.4897 0.4897
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0435 0.1107 0.1104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0004 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.189 0.4897 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.385 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.189 0.4897 0.4895
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0111 0.0111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0149 0.0145
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0018 0.0018
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0435 0.1107 0.1107
Echinococcus granulosus cathepsin L 0.1025 0.2644 0.2643
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0004 0.0004
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.385 1 1
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0435 0.1107 0.1107
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0073 0.0073
Brugia malayi beta-lactamase 0.0038 0.0073 0.0073
Brugia malayi cathepsin Z-like cysteine proteinase 0.0435 0.1107 0.1107
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0057 0.0057
Onchocerca volvulus Cathepsin F homolog 0.189 0.4897 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0004 0.0004
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0435 0.1107 0.1104
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0004 0.0004
Echinococcus multilocularis cpg binding protein 0.0033 0.0062 0.0061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0435 0.1107 0.2144
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0317 0.08 0.1507
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0111 0.0111
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0004 0.0004
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0435 0.1107 0.2144
Onchocerca volvulus Cathepsin L homolog 0.0435 0.1107 0.2256
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Giardia lamblia Cathepsin B precursor 0.1491 0.3858 1
Brugia malayi Cathepsin L-like precursor 0.189 0.4897 0.4897
Onchocerca volvulus 0.0038 0.0073 0.0142
Loa Loa (eye worm) hypothetical protein 0.13 0.3361 0.336
Brugia malayi beta-lactamase family protein 0.0038 0.0073 0.0073
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0073 0.0073
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0014
Echinococcus granulosus cathepsin l cysteine peptidase 0.189 0.4897 0.4897
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0004 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.0435 0.1107 0.1107
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.385 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0435 0.1107 0.1104
Echinococcus multilocularis cysteine protease 0.189 0.4897 0.4897
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0435 0.1107 0.2144
Loa Loa (eye worm) hypothetical protein 0.0435 0.1107 0.1107
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Plasmodium vivax vivapain-2 0.189 0.4897 1
Leishmania major cysteine peptidase A (CPA) 0.189 0.4897 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0004 0.0003
Brugia malayi steroid hormone receptor 0.0011 0.0004 0.0004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Schistosoma mansoni cpg binding protein 0.0033 0.0062 0.0058
Onchocerca volvulus 0.189 0.4897 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0004 0.0003
Plasmodium vivax unspecified product 0.0435 0.1107 0.2144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0435 0.1107 0.2144
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0073 0.0073
Entamoeba histolytica cysteine proteinase 1, putative 0.1025 0.2644 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Brugia malayi Cathepsin L-like precursor 0.13 0.3361 0.3361
Giardia lamblia Cathepsin B precursor 0.1491 0.3858 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0004 0.0004
Schistosoma mansoni cathepsin C 0.0435 0.1107 0.1104
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0435 0.1107 0.2144
Loa Loa (eye worm) beta-lactamase 0.0038 0.0073 0.0073
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0435 0.1107 0.2144
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Onchocerca volvulus 0.0038 0.0073 0.0142
Echinococcus multilocularis GPCR, family 2 0.0017 0.0018 0.0018
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.1491 0.3858 0.7846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0435 0.1107 0.2144
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0014
Toxoplasma gondii cathepsin CPC1 0.0435 0.1107 0.2144
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0004 0.0003
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0435 0.1107 0.2144
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0004 0.0003
Brugia malayi Papain family cysteine protease containing protein 0.0435 0.1107 0.1107
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.13 0.3361 0.6815
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.385 1 1
Loa Loa (eye worm) hypothetical protein 0.0435 0.1107 0.1107
Brugia malayi cathepsin L precursor 0.0435 0.1107 0.1107
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.189 0.4897 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.0604 1
Trypanosoma cruzi cysteine peptidase, putative 0.059 0.1511 0.1448
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0435 0.1107 0.2144
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.0366 0.0294
Brugia malayi CXXC zinc finger family protein 0.0032 0.0057 0.0057
Brugia malayi Cathepsin L-like precursor 0.189 0.4897 0.4897
Loa Loa (eye worm) hypothetical protein 0.059 0.1511 0.1511
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.13 0.3361 0.6815
Loa Loa (eye worm) hypothetical protein 0.059 0.1511 0.1511
Schistosoma mansoni hypothetical protein 0.0036 0.0068 0.0064
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0317 0.08 0.0732
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1491 0.3858 0.3855
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0073 0.007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0004 0.0003
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Plasmodium vivax unspecified product 0.1025 0.2644 0.5329
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0091 0.0018
Brugia malayi nuclear hormone receptor 0.0011 0.0004 0.0004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0435 0.1107 0.1107
Giardia lamblia Cathepsin B precursor 0.1491 0.3858 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0435 0.1107 0.1104
Echinococcus granulosus cathepsin L cysteine proteinase 0.189 0.4897 0.4897
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.13 0.3361 0.336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1025 0.2644 0.5329
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.13 0.3361 0.3312
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0004 0.0004
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0068 0.0068
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0111 0.0111
Loa Loa (eye worm) papain family cysteine protease containing protein 0.189 0.4897 0.4897
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.189 0.4897 0.4897
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0091 0.0018
Onchocerca volvulus 0.13 0.3361 0.686
Brugia malayi Cathepsin L-like precursor 0.059 0.1511 0.1511
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.0073
Brugia malayi cathepsin F-like cysteine proteinase 0.059 0.1511 0.1511
Trypanosoma cruzi cysteine protease, putative 0.1025 0.2644 0.2589
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0435 0.1107 0.2144
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0004 0.0004
Echinococcus granulosus cathepsin b 0.385 1 1
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.059 0.1511 0.1448
Loa Loa (eye worm) papain family cysteine protease containing protein 0.059 0.1511 0.1511
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0004 0.0003
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.059 0.1511 0.1511
Trypanosoma cruzi cysteine peptidase, putative 0.189 0.4897 0.4859
Onchocerca volvulus 0.189 0.4897 1
Onchocerca volvulus 0.189 0.4897 1
Trypanosoma cruzi cysteine proteinase, putative 0.1025 0.2644 0.2589
Brugia malayi cathepsin L-like cysteine proteinase 0.0435 0.1107 0.1107
Plasmodium falciparum cysteine proteinase falcipain 3 0.189 0.4897 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0435 0.1107 0.2144
Brugia malayi Papain family cysteine protease containing protein 0.1025 0.2644 0.2644
Brugia malayi Papain family cysteine protease containing protein 0.189 0.4897 0.4897
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0435 0.1107 0.1107
Echinococcus granulosus cathepsin b 0.385 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Echinococcus granulosus cathepsin L 0.0435 0.1107 0.1107
Toxoplasma gondii preprocathepsin c precursor, putative 0.0435 0.1107 0.2144
Entamoeba histolytica cysteine proteinase, putative 0.1025 0.2644 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0435 0.1107 0.2144
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0018 0.0018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Brugia malayi beta-lactamase family protein 0.0038 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0014
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Trypanosoma cruzi cruzipain precursor, putative 0.189 0.4897 0.4859
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1491 0.3858 0.3812
Echinococcus granulosus cathepsin L cysteine protease 0.1025 0.2644 0.2643
Trypanosoma cruzi cysteine peptidase, putative 0.1025 0.2644 0.2589
Schistosoma mansoni hypothetical protein 0.0186 0.0459 0.0455
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.189 0.4897 0.4897
Entamoeba histolytica cysteine proteinase 2 0.1025 0.2644 0.4054
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0003
Loa Loa (eye worm) hypothetical protein 0.059 0.1511 0.1511
Plasmodium vivax unspecified product 0.059 0.1511 0.2981
Schistosoma mansoni hypothetical protein 0.0017 0.0018 0.0014
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Leishmania major mitochondrial DNA polymerase beta 0.0317 0.08 0.1507
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.0073
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.1025 0.2644 0.2641
Brugia malayi Cathepsin L-like precursor 0.189 0.4897 0.4897
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0435 0.1107 0.1104
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0073 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.189 0.4897 0.4859
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0004 0.0003
Brugia malayi cathepsin Z-like cysteine proteinase 0.0435 0.1107 0.1107
Echinococcus granulosus cathepsin l1 0.189 0.4897 0.4897
Entamoeba histolytica cysteine proteinase, putative 0.1025 0.2644 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0435 0.1107 0.1042
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0435 0.1107 0.2144
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0004 0.0003
Echinococcus multilocularis cysteine protease 0.189 0.4897 0.4897
Leishmania major cathepsin L-like protease 0.189 0.4897 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Mycobacterium ulcerans hypothetical protein 0.0167 0.041 1
Schistosoma mansoni hypothetical protein 0.0186 0.0459 0.0455
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Schistosoma mansoni cathepsin B (C01 family) 0.0435 0.1107 0.1104
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0004 0.0003
Onchocerca volvulus 0.0032 0.0057 0.0109
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.189 0.4897 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0435 0.1107 0.1107
Echinococcus multilocularis cathepsin b 0.385 1 1
Brugia malayi Cathepsin L-like precursor 0.189 0.4897 0.4897
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.13 0.3361 0.336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0004 0.0003
Brugia malayi nuclear receptor NHR-88 0.0011 0.0004 0.0004
Echinococcus multilocularis geminin 0.0186 0.0459 0.0459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.189 0.4897 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0111 0.0111
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0004 0.0004
Plasmodium vivax vivapain-3 0.1025 0.2644 0.5329
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0004 0.0004
Trypanosoma cruzi major cysteine proteinase, putative 0.0435 0.1107 0.1042
Echinococcus granulosus geminin 0.0186 0.0459 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0004 0.0004
Entamoeba histolytica cysteine proteinase, putative 0.189 0.4897 1
Echinococcus granulosus cathepsin l1 0.13 0.3361 0.336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0435 0.1107 0.2144
Echinococcus multilocularis cathepsin L cysteine protease 0.189 0.4897 0.4897
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1025 0.2644 0.5329
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0004 0.0003
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0435 0.1107 0.2144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.189 0.4897 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.385 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0435 0.1107 0.1107
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0435 0.1107 0.2144
Plasmodium falciparum cysteine proteinase falcipain 2b 0.189 0.4897 1
Onchocerca volvulus Cathepsin L homolog 0.189 0.4897 1
Loa Loa (eye worm) hypothetical protein 0.385 1 1
Brugia malayi Cathepsin L-like precursor 0.189 0.4897 0.4897
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0116 0.0043
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.1025 0.2644 0.2589
Loa Loa (eye worm) hypothetical protein 0.0038 0.0073 0.0073
Onchocerca volvulus 0.189 0.4897 1
Entamoeba histolytica cysteine proteinase, putative 0.1025 0.2644 0.4054
Loa Loa (eye worm) hypothetical protein 0.0435 0.1107 0.1107
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0004 0.0004
Entamoeba histolytica cysteine proteinase, putative 0.1025 0.2644 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0435 0.1107 0.1107
Onchocerca volvulus Cathepsin L homolog 0.189 0.4897 1
Trypanosoma cruzi cysteine peptidase, putative 0.189 0.4897 0.4859
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0004 0.0003
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0435 0.1107 0.2144
Entamoeba histolytica cysteine protease, putative 0.1025 0.2644 0.4054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0004 0.0003
Trypanosoma cruzi cysteine peptidase, putative 0.189 0.4897 0.4859
Toxoplasma gondii hypothetical protein 0.0051 0.0108 0.0072
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0435 0.1107 0.2144
Brugia malayi Papain family cysteine protease containing protein 0.1025 0.2644 0.2644

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 680 uM 50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay ChEMBL. 10794694
Inhibition (binding) = 52 % % inhibition of competitive binding, at 500 microM, against human Peptidyl-prolyl isomerase activity using uncoupled assay ChEMBL. 10794694

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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