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Target
Integrase
Ligand
BDBM64674
Substrate
n/a
Meas. Tech.
ChEMBL_940681 (CHEMBL2327747)
IC50
>20000±n/a nM
Citation
 Serrao, E; Debnath, B; Otake, H; Kuang, Y; Christ, F; Debyser, Z; Neamati, 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 Chem 56:2311-22 (2013) [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:
BDBM64674
Synonyms:
MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(furan-2-yl)methyl]propanamide | N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamide | N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-furyl)methyl]propionamide | N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide | SMR000273437 | cid_2920571
Type:
Small organic molecule
Emp. Form.:
C17H15ClN2O3
Mol. Mass.:
330.766
SMILES:
CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Structure:
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