Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50183275
Substrate
n/a
Meas. Tech.
ChEMBL_336353 (CHEMBL865324)
IC50
8.2±n/a nM
Citation
Sato, M; Motomura, T; Aramaki, H; Matsuda, T; Yamashita, M; Ito, Y; Kawakami, H; Matsuzaki, Y; Watanabe, W; Yamataka, K; Ikeda, S; Kodama, E; Matsuoka, M; Shinkai, H Novel HIV-1 integrase inhibitors derived from quinolone antibiotics. J Med Chem 49:1506-8 (2006) [PubMed] Article
More Info.:
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
Inhibitor
Name:
BDBM50183275
Synonyms:
(S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 6-(3-Chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid | CHEMBL206604
Type:
Small organic molecule
Emp. Form.:
C22H21ClFNO4
Mol. Mass.:
417.858
SMILES:
CC(C)[C@@H](CO)n1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12