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Target
Integrase
Ligand
BDBM50184346
Substrate
n/a
Meas. Tech.
ChEMBL_338117 (CHEMBL868328)
IC50
21000±n/a nM
Citation
 Di Santo, R; Costi, R; Roux, A; Artico, M; Lavecchia, A; Marinelli, L; Novellino, E; Palmisano, L; Andreotti, M; Amici, R; Galluzzo, CM; Nencioni, L; Palamara, AT; Pommier, Y; Marchand, C Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action. J Med Chem 49:1939-45 (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:
BDBM50184346
Synonyms:
(Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)-1-(4-fluoro-benzyl)-4-oxo-1,4-dihydro-quinolin-3-yl]-2-hydroxy-4-oxo-but-2-enoic acid ethyl ester | CHEMBL204751
Type:
Small organic molecule
Emp. Form.:
C28H24FNO9
Mol. Mass.:
537.4899
SMILES:
CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1
Structure:
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