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Target
Integrase
Ligand
BDBM50184349
Substrate
n/a
Meas. Tech.
ChEMBL_584441 (CHEMBL1056712)
IC50
440±n/a nM
Citation
 Vandurm, P; Cauvin, C; Guiguen, A; Georges, B; Le Van, K; Martinelli, V; Cardona, C; Mbemba, G; Mouscadet, JF; Hevesi, L; Van Lint, C; Wouters, J Structural and theoretical studies of [6-bromo-1-(4-fluorophenylmethyl)-4(1H)-quinolinon-3-yl)]-4-hydroxy-2-oxo-3-butenoïc acid as HIV-1 integrase inhibitor. Bioorg Med Chem Lett 19:4806-9 (2009) [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:
BDBM50184349
Synonyms:
(Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-fluoro-benzyl)-4-oxo-1,4-dihydro-quinolin-3-yl]-2-hydroxy-4-oxo-but-2-enoic acid | CHEMBL377501
Type:
Small organic molecule
Emp. Form.:
C24H16FNO9
Mol. Mass.:
481.3835
SMILES:
OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1
Structure:
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