Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1127
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
2.6±n/a nM
Citation
 Katritzky, AR; Oliferenko, A; Lomaka, A; Karelson, M Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships. Bioorg Med Chem Lett 12:3453-7 (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:
BDBM1127
Synonyms:
(4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)methyl]-4-(2-phenylethyl)-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-1-[3-hyroxyphenylmethyl]-5-hydroxy-4-(2-phenylethyl)-6-phenylmethyl-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 40
Type:
Small organic molecule
Emp. Form.:
C26H28N2O3
Mol. Mass.:
416.5121
SMILES:
O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r|
Structure:
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