Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50478316
Substrate
n/a
Meas. Tech.
ChEMBL_476026 (CHEMBL927106)
IC50
10.0±n/a nM
Citation
 Di Francesco, ME; Pace, P; Fiore, F; Naimo, F; Bonelli, F; Rowley, M; Summa, V Development of 2-t butyl-N-methyl pyrimidones as potent inhibitors of HIV integrase. Bioorg Med Chem Lett 18:2709-13 (2008) [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:
BDBM50478316
Synonyms:
CHEMBL259780
Type:
Small organic molecule
Emp. Form.:
C16H18FN3O3
Mol. Mass.:
319.3308
SMILES:
CC(C)(C)c1nc(O)c(O)c(n1)C(=O)NCc1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: