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Target
Integrase
Ligand
BDBM50183276
Substrate
n/a
Meas. Tech.
ChEMBL_336353 (CHEMBL865324)
IC50
24±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 
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:
BDBM50183276
Synonyms:
6-(3-chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | CHEMBL379664
Type:
Small organic molecule
Emp. Form.:
C19H15ClFNO4
Mol. Mass.:
375.778
SMILES:
OCCn1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12
Structure:
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