Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1943
Substrate
Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
295.15±n/a K
Ki
4±n/a nM
Citation
 Thaisrivongs, S; Watenpaugh, KD; Howe, WJ; Tomich, PK; Dolak, LA; Chong, KT; Tomich, CC; Tomasselli, AG; Turner, SR; Strohbach, JW Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors. J Med Chem 38:3624-37 (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:
BDBM1943
Synonyms:
Carboxamide-Containing 4-Hydroxy-2-pyrone analogue XXIV | [3-[[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]amino]-1(S)-[(1H-imidazol-4-yl)methyl]-2-oxoethyl]carbamic Acid tert-Butyl Ester | tert-butyl N-[(1S)-1-[(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2H-pyran-3-yl]methyl}phenyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C36H42N4O6
Mol. Mass.:
626.7419
SMILES:
CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1447.64
Organism:
n/a
Description:
The peptide was derivatized with biotin and fluorescein isothiocyanate at the amino and carboxy termini.
Residue:
12
Sequence:
RVSQNYPIVQNK