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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1101
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
0.310456±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]
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:
BDBM1101
Synonyms:
(4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxamidophenyl)methyl]-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-3-[(3-carbamoylphenyl)methyl]-6-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-5-hydroxy-2-oxo-1,3-diazinan-1-yl]methyl}benzamide | Tetrahydropyrimidinone deriv. 57
Type:
Small organic molecule
Emp. Form.:
C35H34F2N4O4
Mol. Mass.:
612.6657
SMILES:
NC(=O)c1cccc(CN2[C@H](CCc3ccc(F)cc3)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
Structure:
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