Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM9631
Substrate
Biotinylated HIV-1 Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
IC50
16±n/a nM
Citation
 Jungheim, LNShepherd, TABaxter, AJBurgess, JHatch, SDLubbehusen, PWiskerchen, MMuesing, MA Potent human immunodeficiency virus type 1 protease inhibitors that utilize noncoded D-amino acids as P2/P3 ligands. J Med Chem 39:96-108 (1996) [PubMed]  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:
BDBM9631
Synonyms:
(S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-[(methylsulfonyl)amino]-3-[(p-methoxyphenyl)-thio]propanamide | D-Cysteine Analog 16j | N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-[(4-methoxyphenyl)sulfanyl]propanamido]-4-phenylbutyl]benzamide
Type:
Small organic molecule
Emp. Form.:
C32H41N3O6S2
Mol. Mass.:
627.814
SMILES:
COc1ccc(SC[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)Cc2ccccc2C(=O)NC(C)(C)C)cc1 |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