Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1119
Substrate
n/a
Meas. Tech.
ChEMBL_158035 (CHEMBL768259)
Ki
23±n/a nM
Citation
 Nair, AC; Jayatilleke, P; Wang, X; Miertus, S; Welsh, WJ Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-based properties. J Med Chem 45:973-83 (2002) [PubMed]  Article 
Target
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:
BDBM1119
Synonyms:
(4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis(naphthalen-2-ylmethyl)-6-(2-phenylethyl)-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-1,3-bis-[2-naphthylmethyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 8
Type:
Small organic molecule
Emp. Form.:
C41H38N2O2
Mol. Mass.:
590.7526
SMILES:
O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: