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Target
Integrase
Ligand
BDBM50142742
Substrate
n/a
Meas. Tech.
ChEMBL_90868 (CHEMBL699301)
IC50
73000±n/a nM
Citation
 Costi, R; Di Santo, R; Artico, M; Roux, A; Ragno, R; Massa, S; Tramontano, E; La Colla, M; Loddo, R; Marongiu, ME; Pani, A; La Colla, P 6-aryl-2,4-dioxo-5-hexenoic acids, novel integrase inhibitors active against HIV-1 multiplication in cell-based assays. Bioorg Med Chem Lett 14:1745-9 (2004) [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:
BDBM50142742
Synonyms:
(E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dioxo-hex-5-enoic acid ethyl ester | CHEMBL301161
Type:
Small organic molecule
Emp. Form.:
C20H21NO4
Mol. Mass.:
339.385
SMILES:
CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9|
Structure:
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