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Target
Integrase
Ligand
BDBM50142736
Substrate
n/a
Meas. Tech.
ChEMBL_1276473 (CHEMBL3088597)
IC50
26±n/a nM
Citation
 Costi, R; Métifiot, M; Esposito, F; Cuzzucoli Crucitti, G; Pescatori, L; Messore, A; Scipione, L; Tortorella, S; Zinzula, L; Novellino, E; Pommier, Y; Tramontano, E; Marchand, C; Di Santo, R 6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-5-hexenoic acids as dual inhibitors of recombinant HIV-1 integrase and ribonuclease H, synthesized by a parallel synthesis approach. J Med Chem 56:8588-98 (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:
BDBM50142736
Synonyms:
(E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dioxo-hex-5-enoic acid | CHEMBL48573
Type:
Small organic molecule
Emp. Form.:
C17H14FNO4
Mol. Mass.:
315.2958
SMILES:
OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:8.7|
Structure:
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