Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1152
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
Ki
2400±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:
BDBM1152
Synonyms:
(4R,5S,6R,7R)-1,3-diaza-1-[(3-cyanophenyl)methyl]-4,7-bis-(phenylmethyl)-5-(hydroxy)-bicyclo[4.1.0]heptan-2-one | 3-{[(4R,5S,6R)-4,7-dibenzyl-5-hydroxy-2-oxo-1,3-diazabicyclo[4.1.0]heptan-3-yl]methyl}benzonitrile | Tetrahydropyrimidinone deriv. 100
Type:
Small organic molecule
Emp. Form.:
C27H25N3O2
Mol. Mass.:
423.5063
SMILES:
[H][C@]12C(Cc3ccccc3)N1C(=O)N(Cc1cccc(c1)C#N)[C@H](Cc1ccccc1)[C@@H]2O |r|
Structure:
Search PDB for entries with ligand similarity: