Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587,V571A]
Ligand
BDBM20714
Substrate
HIV Protease Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
Ki
14±3 nM
Citation
 Clemente, JC; Robbins, A; Graña, P; Paleo, MR; Correa, JF; Villaverde, MC; Sardina, FJ; Govindasamy, L; Agbandje-McKenna, M; McKenna, R; Dunn, BM; Sussman, F Design, Synthesis, Evaluation, and Crystallographic-Based Structural Studies of HIV-1 Protease Inhibitors with Reduced Response to the V82A Mutation. J Med Chem 51:852-60 (2008) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587,V571A]
Synonyms:
HIV-1 Protease Mutant (V82A)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
The V82A mutation was introduced into the HIV-PR (LAI) background.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587,V571A]
Synonyms:
HIV-1 Protease Mutant (V82A) Chain A | HIV-1 Protease Mutant (V82A) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10753.11
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587,V571A]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587,V571A]
Synonyms:
HIV-1 Protease Mutant (V82A) Chain A | HIV-1 Protease Mutant (V82A) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10753.11
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587,V571A]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM20714
Synonyms:
(2S)-N-[(2S,3S,4S,5S)-6-cyclohexyl-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1-phenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide | Inhibitor PC
Type:
Small organic molecule
Emp. Form.:
C44H64N8O6
Mol. Mass.:
801.029
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Chromogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1420.11
Organism:
n/a
Description:
n/a
Residue:
13
Sequence:
KARVLNPHEANLG