Detailed information for compound 112644

Basic information

Technical information
  • TDR Targets ID: 112644
  • Name: benzyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-2-(tert-bu tylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phen ylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] carbamate
  • MW: 580.758 | Formula: C33H48N4O5
  • H donors: 4 H acceptors: 4 LogP: 4.8 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)N[C@H]([C@@H](CN1CCCC[C@H]1C(=O)NC(C)(C)C)O)Cc1ccccc1)C(C)C)OCc1ccccc1
  • InChi: 1S/C33H48N4O5/c1-23(2)29(35-32(41)42-22-25-16-10-7-11-17-25)31(40)34-26(20-24-14-8-6-9-15-24)28(38)21-37-19-13-12-18-27(37)30(39)36-33(3,4)5/h6-11,14-17,23,26-29,38H,12-13,18-22H2,1-5H3,(H,34,40)(H,35,41)(H,36,39)/t26-,27-,28+,29-/m0/s1
  • InChiKey: DHGYJQQCTRWFTI-FKWFRFQNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • benzyl N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)-1-piperidyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate
  • N-[(1S)-1-[[[(1S,2R)-1-benzyl-3-[(2S)-2-[(tert-butylamino)-oxomethyl]-1-piperidinyl]-2-hydroxypropyl]amino]-oxomethyl]-2-methylpropyl]carbamic acid benzyl ester
  • phenylmethyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamate
  • N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)piperidino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester
  • phenylmethyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
  • phenylmethyl N-[(1S)-1-[[(1S,2R)-3-[(2S)-2-(tert-butylcarbamoyl)-1-piperidyl]-2-hydroxy-1-(phenylmethyl)propyl]carbamoyl]-2-methyl-propyl]carbamate
  • N-[(1S)-1-[[[(1S,2R)-3-[(2S)-2-[(tert-butylamino)-oxomethyl]-1-piperidinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]-oxomethyl]-2-methylpropyl]carbamic acid phenylmethyl ester
  • N-[(1S)-1-[[(1S,2R)-1-(benzyl)-3-[(2S)-2-(tert-butylcarbamoyl)-1-piperidyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester
  • (Hydroxyethyl)amidosuccinoyl deriv. 1
  • AIDS-050389
  • AIDS050389
  • {(S)-1-[(1S,2R)-1-Benzyl-3-((S)-2-tert-butylcarbamoyl-piperidin-1-yl)-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) Get druggable targets OG5_131408 All targets in OG5_131408
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Echinococcus multilocularis Chromobox protein 3 Human immunodeficiency virus type 1 protease   99 aa 95 aa 28.4 %
Giardia lamblia DNA-directed RNA polymerase subunit D Human immunodeficiency virus type 1 protease   99 aa 90 aa 27.8 %
Trypanosoma brucei variant surface glycoprotein (VSG), putative Human immunodeficiency virus type 1 protease   99 aa 80 aa 27.5 %
Mycobacterium leprae Hypothetical protein Human immunodeficiency virus type 1 protease   99 aa 86 aa 27.9 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni frizzled-like receptor 0.02 0.1274 0.1274
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.3381
Echinococcus multilocularis smoothened 0.02 0.1274 0.3381
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0278 0.1786 0.1786
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Echinococcus multilocularis frizzled 4 0.02 0.1274 0.3381
Echinococcus granulosus dnaJ subfamily B 0.0456 0.2957 0.7847
Schistosoma mansoni wnt-5 0.0218 0.1396 0.1396
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0211 0.0559
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.0218 0.1396 0.3705
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0076
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0035 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.5
Brugia malayi wnt family protein 0.0218 0.1396 0.3705
Trichomonas vaginalis helicase, putative 0.0007 0.0009 0.5
Loa Loa (eye worm) wnt-4 protein 0.0218 0.1396 0.3705
Echinococcus granulosus Protein Wnt-111 0.0218 0.1396 0.3705
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0035 0.0035
Brugia malayi Fz domain containing protein 0.02 0.1274 0.3381
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0035 0.0093
Echinococcus granulosus frizzled 0.02 0.1274 0.3381
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0035 0.0093
Echinococcus multilocularis GPCR, family 2 0.0018 0.0076 0.0203
Loa Loa (eye worm) hypothetical protein 0.0056 0.0326 0.0865
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0076 0.0203
Schistosoma mansoni frizzled 0.02 0.1274 0.1274
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0407 0.0407
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0035 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Echinococcus multilocularis dnaJ subfamily B 0.0456 0.2957 0.7847
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0035 0.0093
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0035 0.0093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0035 0.0093
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0171 0.0454
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0035 0.0035
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.02 0.1274 0.3381
Onchocerca volvulus 0.0779 0.5082 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0035 0.0093
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0035 0.0035
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0359 0.5
Loa Loa (eye worm) histone methyltransferase 0.001 0.0026 0.0069
Echinococcus granulosus Protein Wnt-04 0.0218 0.1396 0.3705
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0026 0.0069
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0425 0.1128
Onchocerca volvulus 0.0032 0.0171 0.027
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0009 0.5
Echinococcus multilocularis frizzled 5 0.02 0.1274 0.3381
Echinococcus granulosus netrin 1 0.058 0.3769 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0076 0.0203
Echinococcus granulosus frizzled 5 0.02 0.1274 0.3381
Echinococcus multilocularis netrin 1 0.058 0.3769 1
Schistosoma mansoni cpg binding protein 0.0034 0.0183 0.0183
Brugia malayi nuclear hormone receptor 0.0011 0.0035 0.0093
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0035 0.0093
Echinococcus multilocularis secreted frizzled protein 0.02 0.1274 0.3381
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0035 0.0093
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0076 0.0203
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0035 0.0093
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0035 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0035 0.0093
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0076
Echinococcus granulosus frizzled 0.02 0.1274 0.3381
Brugia malayi steroid hormone receptor 0.0011 0.0035 0.0093
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0035 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0035 0.0093
Echinococcus multilocularis secreted frizzled protein 5 0.02 0.1274 0.3381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0035 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.02 0.1274 0.3381
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0076 0.0203
Schistosoma mansoni wnt related 0.0218 0.1396 0.1396
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0425 0.0425
Brugia malayi wnt family protein 0.0218 0.1396 0.3705
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0035 0.0093
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0009 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0211 0.0211
Loa Loa (eye worm) sfrp2 0.02 0.1274 0.3381
Schistosoma mansoni wnt related 0.0218 0.1396 0.1396
Schistosoma mansoni wnt related 0.0218 0.1396 0.1396
Loa Loa (eye worm) hypothetical protein 0.0218 0.1396 0.3705
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0076
Echinococcus granulosus GPCR family 2 0.0018 0.0076 0.0203
Schistosoma mansoni frizzled-like receptor 0.02 0.1274 0.1274
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0425 0.0425
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0425 0.0425
Echinococcus granulosus Protein Wnt-5 0.0218 0.1396 0.3705
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0035 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.058 0.3769 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0035 0.0093
Brugia malayi Wnt-2 protein precursor 0.0218 0.1396 0.3705
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0035 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0425 0.0425
Echinococcus multilocularis WNT 0.0218 0.1396 0.3705
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0326 0.0865
Loa Loa (eye worm) CWN-2 protein 0.0218 0.1396 0.3705
Brugia malayi nuclear receptor NHR-88 0.0011 0.0035 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0035 0.0035
Echinococcus multilocularis cpg binding protein 0.0034 0.0183 0.0486
Echinococcus multilocularis wnt family member wnt11 2 0.0218 0.1396 0.3705
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Brugia malayi RNA binding protein 0.0071 0.0425 0.1128
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0035 0.0035
Echinococcus granulosus smoothened 0.02 0.1274 0.3381
Loa Loa (eye worm) RNA binding protein 0.0071 0.0425 0.1128
Brugia malayi TAR-binding protein 0.0071 0.0425 0.1128
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Echinococcus granulosus protein Wnt 1 0.0218 0.1396 0.3705
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0013 0.0035
Schistosoma mansoni wnt related 0.0218 0.1396 0.1396
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0013 0.0035
Echinococcus granulosus frizzled 0.02 0.1274 0.3381
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0035 0.0093
Brugia malayi ecdysteroid receptor 0.0011 0.0035 0.0093
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0013 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Echinococcus multilocularis wingless type MMTV integration site family 0.0218 0.1396 0.3705
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.5
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.02 0.1274 0.3381
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0035 0.0093
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0035 0.0035
Schistosoma mansoni netrin 0.058 0.3769 0.3769
Schistosoma mansoni hypothetical protein 0.0456 0.2957 0.2957
Brugia malayi Wnt-4 protein precursor 0.0218 0.1396 0.3705
Echinococcus multilocularis frizzled 10 0.02 0.1274 0.3381
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0076 0.0203
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0013 0.0035
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0035 0.0093
Schistosoma mansoni cpg binding protein 0.0034 0.0183 0.0183
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0035 0.0093
Loa Loa (eye worm) Wnt2 protein 0.0218 0.1396 0.3705
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0035 0.0093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.0038 0.0211 0.0559
Echinococcus granulosus tar DNA binding protein 0.0071 0.0425 0.1128
Loa Loa (eye worm) hypothetical protein 0.0018 0.0076 0.0203
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0035 0.0035
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0076 0.0203
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0035 0.0093
Echinococcus multilocularis secreted frizzled protein 0.02 0.1274 0.3381
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0035 0.0093
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0035 0.0093
Brugia malayi wnt family protein 0.0218 0.1396 0.3705
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0035 0.0093
Brugia malayi Unc-6 protein precursor 0.058 0.3769 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0425 0.1128
Echinococcus granulosus protein Wnt 2 0.0218 0.1396 0.3705
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0035 0.0035
Echinococcus multilocularis WNT 0.0218 0.1396 0.3705
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.02 0.1274 0.3381
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0035 0.0093
Brugia malayi CXXC zinc finger family protein 0.0032 0.0171 0.0454
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0035 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Schistosoma mansoni secreted frizzled-related protein 0.02 0.1274 0.1274
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0326 0.0865
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0026 0.0069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0035 0.0093
Echinococcus granulosus frizzled 4 0.02 0.1274 0.3381
Loa Loa (eye worm) hypothetical protein 0.0218 0.1396 0.3705
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 0.1396 0.3705
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.02 0.1274 0.3381
Echinococcus granulosus cpg binding protein 0.0034 0.0183 0.0486
Echinococcus granulosus Protein Wnt-11b 0.0218 0.1396 0.3705
Echinococcus multilocularis frizzled 0.02 0.1274 0.3381
Echinococcus multilocularis frizzled 0.02 0.1274 0.3381
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0035 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0425 0.0425
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Brugia malayi wnt family protein 0.0218 0.1396 0.3705
Echinococcus multilocularis protein Wnt 2 0.0218 0.1396 0.3705
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0425 0.1128
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0076 0.0203
Schistosoma mansoni cpg binding protein 0.0032 0.0171 0.0171
Echinococcus granulosus secreted frizzled protein 5 0.02 0.1274 0.3381
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0425 0.1128
Echinococcus multilocularis protein Wnt 1 0.0218 0.1396 0.3705
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0326 0.0865
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0035 0.0093
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0035 0.0093
Loa Loa (eye worm) hypothetical protein 0.0218 0.1396 0.3705
Schistosoma mansoni coup transcription factor 0.0011 0.0035 0.0035
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0035 0.0093
Echinococcus granulosus secreted frizzled protein 0.02 0.1274 0.3381
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0025 0.0067
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0013 0.0013
Brugia malayi Fz domain containing protein 0.02 0.1274 0.3381
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.0093
Schistosoma mansoni wnt inhibitor frzb2 0.02 0.1274 0.1274
Schistosoma mansoni netrin 0.058 0.3769 0.3769
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0035 0.0093

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 62 nM Inhibitory concentration against recombinant HIV-1 protease expressed in Escherichia coli was tested by HPLC based assay ChEMBL. 9216835
IC50 (binding) = 62 nM Inhibitory concentration against recombinant HIV-1 protease expressed in Escherichia coli was tested by HPLC based assay ChEMBL. 9216835

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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