Reaction Details  Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1107
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
Ki
0.1±n/a nM
Citation
 De Lucca, GV; Liang, J; De Lucca, I Stereospecific synthesis, structure-activity relationship, and oral bioavailability of tetrahydropyrimidin-2-one HIV protease inhibitors. J Med Chem 42:135-52 (1999) [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:
BDBM1107
Synonyms:
(4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-bis({[3-(1H-pyrazol-3-yl)phenyl]methyl})-1,3-diazinan-2-one | (4R,5R,6R)-Tetrahydro-1,3-bis[(3-(pyrazol-3-yl)phenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | Tetrahydropyrimidinone deriv. 68
Type:
Small organic molecule
Emp. Form.:
C39H38N6O2
Mol. Mass.:
622.758
SMILES:
O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1 |r|
Structure:
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