Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1136
Substrate
n/a
Meas. Tech.
ChEMBL_158035 (CHEMBL768259)
Ki
1.2±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:
BDBM1136
Synonyms:
(4R,5R,6R)-6-benzyl-5-hydroxy-1-(1H-indazol-5-ylmethyl)-4-(2-phenylethyl)-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-5-hydroxy-1-[(1H-indazol-5-yl)methyl]-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 86
Type:
Small organic molecule
Emp. Form.:
C27H28N4O2
Mol. Mass.:
440.5368
SMILES:
O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: