Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM312
Substrate
Biotinylated HIV-1 Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
1.4±n/a nM
Citation
 Hornback, WJ; Munroe, JE; Shepherd, TA; Hatch, SD; Muesing, MA; Wiskerchen, M; Colacino, JM; Baxter, AJ SYNTHESIS AND PHARMACOKINETICS OF POTENT CARBAMATE HIV-1 PROTEASE INHIBITORS CONTAINING NOVEL HIGH AFFINITY HYDROXYETHYLAMINE ISOSTERES Bioorg Med Chem Lett 5:2891-6 (1995)    Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM312
Synonyms:
(2S,3R)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R)-4-[(3aR,7aS)-6-(tert-butylcarbamoyl)-octahydrothieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamate | Thienopyridine thienyl urethane deriv. 7 | hydroxyethylamine isostere | hydroxyethylene isostere
Type:
Small organic molecule
Emp. Form.:
C28H43N3O6S3
Mol. Mass.:
613.853
SMILES:
[H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Biotinylated HIV-1 Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2106.93
Organism:
n/a
Description:
n/a
Residue:
19
Sequence:
ITINGSQNYPIVGKFITCH