Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1081
Substrate
Fluorescent peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
0.018±n/a nM
Citation
 De Lucca, GV; Liang, J; Aldrich, PE; Calabrese, J; Cordova, B; Klabe, RM; Rayner, MM; Chang, CH Design, synthesis, and evaluation of tetrahydropyrimidinones as an example of a general approach to nonpeptide HIV protease inhibitors. J Med Chem 40:1707-9 (1997) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Tandem linked enzyme construct
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM1081
Synonyms:
(4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-4-benzyl-5-hydroxy-3-{[3-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide | Cyclic Urea | Tetrahydropyrimidinone deriv. 24
Type:
Small organic molecule
Emp. Form.:
C35H38N6O4
Mol. Mass.:
606.714
SMILES:
ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescent peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4608.75
Organism:
n/a
Description:
n/a
Residue:
42
Sequence:
AMINENYLALATHRHISGLNVALTYRPHENVALARGLYSALA