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Target
Integrase
Ligand
BDBM50498956
Substrate
n/a
Meas. Tech.
ChEMBL_1538045 (CHEMBL3738751)
IC50
17200±n/a nM
Citation
 Sari, O; Roy, V; Métifiot, M; Marchand, C; Pommier, Y; Bourg, S; Bonnet, P; Schinazi, RF; Agrofoglio, LA Synthesis of dihydropyrimidine ?,?-diketobutanoic acid derivatives targeting HIV integrase. Eur J Med Chem 104:127-38 (2015) [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:
BDBM50498956
Synonyms:
CHEMBL3736096
Type:
Small organic molecule
Emp. Form.:
C31H26N2O8
Mol. Mass.:
554.5467
SMILES:
CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccc(OC)cc1
Structure:
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