Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50476420
Substrate
n/a
Meas. Tech.
ChEMBL_644449 (CHEMBL1211287)
IC50
50±n/a nM
Citation
 Lu, P; Wei, X; Zhang, R CoMFA and CoMSIA 3D-QSAR studies on quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase. Eur J Med Chem 45:3413-9 (2010) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50476420
Synonyms:
CHEMBL242883
Type:
Small organic molecule
Emp. Form.:
C17H14O4
Mol. Mass.:
282.2907
SMILES:
OC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: