Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1149
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
Ki
0.06±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:
BDBM1149
Synonyms:
(4R,5R,6R)-Tetrahydro-1-(3-aminophenyl-methyl)-3-[3-carboxamidophenyl-methyl]-4-(2-phenylethyl)-5-hydroxy-6-phenylmethyl-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-3-[(3-aminophenyl)methyl]-4-benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}benzamide | Tetrahydropyrimidinone deriv. 97
Type:
Small organic molecule
Emp. Form.:
C34H36N4O3
Mol. Mass.:
548.6746
SMILES:
NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 |r|
Structure:
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