Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599,A572V,V583T,I585V]
Ligand
BDBM17351
Substrate
Chromogenic peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Ki
4.1±n/a nM
Citation
 Skalova, T; Hasek, J; Dohnalek, J; Petrokova, H; Buchtelova, E; Duskova, J; Soucek, M; Majer, P; Uhlikova, T; Konvalinka, J An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. J Med Chem 46:1636-44 (2003) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599,A572V,V583T,I585V]
Synonyms:
HIV-1 Protease Mutant (A71V/V82T/I84V)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599,A572V,V583T,I585V]
Synonyms:
HIV-1 Protease Mutant (A71V/V82T/I84V) chain A | HIV-1 Protease Mutant (A71V/V82T/I84V) chain B | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10811.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599,A572V,V583T,I585V]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKVIGTVLVGPTPTNVIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599,A572V,V583T,I585V]
Synonyms:
HIV-1 Protease Mutant (A71V/V82T/I84V) chain A | HIV-1 Protease Mutant (A71V/V82T/I84V) chain B | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10811.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599,A572V,V583T,I585V]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKVIGTVLVGPTPTNVIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM17351
Synonyms:
(4S)-4-[(2S)-2-{[(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-phenylbutyl]amino}-3-phenylpropanamido]-4-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butanoic acid | CHEMBL215431
Type:
Small organic molecule
Emp. Form.:
C38H49N5O7
Mol. Mass.:
687.825
SMILES:
CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Chromogenic peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2942.29
Organism:
n/a
Description:
n/a
Residue:
28
Sequence:
LYSALAARGVALNLENPHGLALANLENH