Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1142
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
0.650130±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:
BDBM1142
Synonyms:
(4R,5R,6R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3,4-dibenzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-[(3-amino-1H-indazol-5-yl)methyl]-5-hydroxy-4-(2-phenylethyl)-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 90
Type:
Small organic molecule
Emp. Form.:
C34H35N5O2
Mol. Mass.:
545.674
SMILES:
Nc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccccc4)C3=O)cc12 |r|
Structure:
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