Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50480435
Substrate
n/a
Meas. Tech.
ChEMBL_644449 (CHEMBL1211287)
IC50
44±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:
BDBM50480435
Synonyms:
CHEMBL550895
Type:
Small organic molecule
Emp. Form.:
C19H15ClFNO4
Mol. Mass.:
375.778
SMILES:
OCCn1cc(C(O)=O)c(=O)c2cc(Cc3cccc(F)c3Cl)ccc12
Structure:
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