Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM3401
Substrate
Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.6±n/a
Temperature
310.15±n/a K
Ki
24000±7000 nM
Citation
 Reich, SH; Melnick, M; Davies, JF; Appelt, K; Lewis, KK; Fuhry, MA; Pino, M; Trippe, AJ; Nguyen, D; Dawson, H Protein structure-based design of potent orally bioavailable, nonpeptide inhibitors of human immunodeficiency virus protease. Proc Natl Acad Sci U S A 92:3298-302 (1995) [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:
BDBM3401
Synonyms:
2-Butanol deriv. 8 | 2-[4-[2-(tert-Butylcarbamoyl)phenyl]-2-hydroxybutyl]-benzoic Acid tert-Butyl Amide | AG1132 | N-tert-butyl-2-{4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxybutyl}benzamide | diarylbutanol deriv. 5
Type:
Small organic molecule
Emp. Form.:
C26H36N2O3
Mol. Mass.:
424.5756
SMILES:
CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Chromogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3763.66
Organism:
n/a
Description:
n/a
Residue:
35
Sequence:
HISLYSALAARGVALLEPHEPNGLALANLESERNH