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TargetIntegrase
LigandBDBM64732
Substrate/Competitorn/a
Meas. Tech.ChEMBL_940681 (CHEMBL2327747)
IC50>20000±n/a nM
Citation Serrao, EDebnath, BOtake, HKuang, YChrist, FDebyser, ZNeamati, N Fragment-based discovery of 8-hydroxyquinoline inhibitors of the HIV-1 integrase-lens epithelium-derived growth factor/p75 (IN-LEDGF/p75) interaction. J Med Chem56:2311-22 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrase
Name:Integrase
Synonyms:pol
Type:PROTEIN
Mol. Mass.:32203.43
Organism:Human immunodeficiency virus 1
Description:ChEMBL_106649
Residue:288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM64732
n/a
NameBDBM64732
Synonyms:MLS001204078 | N-[(8-Hydroxy-quinolin-7-yl)-phenyl-methyl]-butyramide | N-[(8-hydroxy-7-quinolinyl)-phenylmethyl]butanamide | N-[(8-hydroxy-7-quinolyl)-phenyl-methyl]butyramide | N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]butanamide | N-[(8-oxidanylquinolin-7-yl)-phenyl-methyl]butanamide | SMR000516558 | cid_2876668
TypeSmall organic molecule
Emp. Form.C20H20N2O2
Mol. Mass.320.385
SMILESCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: