Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50286694
Substrate
n/a
Meas. Tech.
ChEBML_80082
IC50
8.6±n/a nM
Citation
 Kaldor, SW; Dressman, BA; Hammond, M; Appelt, K; Burgess, JA; Lubbehusen, PP; Muesing, MA; Hatch, SD; Wiskerchen, MA; Baxter, AJ Isophthalic acid derivatives: amino acid surrogates for the inhibition of HIV-1 protease Bioorg Med Chem Lett 5:721-726 (1995)    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:
BDBM50286694
Synonyms:
CHEMBL163243 | N*3*-[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-4,N*1*-dimethyl-N*1*-pyridin-2-ylmethyl-isophthalamide
Type:
Small organic molecule
Emp. Form.:
C40H53N5O4
Mol. Mass.:
667.8799
SMILES:
CN(Cc1ccccn1)C(=O)c1ccc(C)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: