Reaction Details  Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1102
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
Ki
0.15±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:
BDBM1102
Synonyms:
(4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxamidophenyl)methyl]-5-hydroxy-4-(2-(3,4-difluorophenyl)ethyl)-6-(3,4-difluorophenylmethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-3-[(3-carbamoylphenyl)methyl]-6-[2-(3,4-difluorophenyl)ethyl]-4-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-oxo-1,3-diazinan-1-yl]methyl}benzamide | Tetrahydropyrimidinone deriv. 58
Type:
Small organic molecule
Emp. Form.:
C35H32F4N4O4
Mol. Mass.:
648.6466
SMILES:
NC(=O)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: