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Target
Dimer of Gag-Pol polyprotein [489-587,Q496K]
Ligand
BDBM9132
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
0.05±n/a nM
Citation
 Kevin, NJ; Duffy, JL; Kirk, BA; Chapman, KT; Schleif, WA; Olsen, DB; Stahlhut, M; Rutkowski, CA; Kuo, LC; Jin, L; Lin, JH; Emini, EA; Tata, JR Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Bioorg Med Chem Lett 13:4027-30 (2003) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease | HIV-1 Protease NL4-3 | HIV-1 protease wild-type
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease Chain A | HIV-1 Protease NL4-3 | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10823.26
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587,Q496K]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease Chain A | HIV-1 Protease NL4-3 | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10823.26
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587,Q496K]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM9132
Synonyms:
(2S)-4-{[1-(3-chlorophenyl)-1H-pyrrol-3-yl]methyl}-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide | P3 arylpyrrole analog 13
Type:
Small organic molecule
Emp. Form.:
C38H42ClF3N6O5
Mol. Mass.:
755.225
SMILES:
O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(Cl)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
HIV Protease Substrate
Type:
Peptide
Mol. Mass.:
2715.95
Organism:
n/a
Description:
n/a
Residue:
25
Sequence:
VSQNETANAPHTHYLALANINEPIV