Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50476518
Substrate
n/a
Meas. Tech.
ChEMBL_440973 (CHEMBL890063)
IC50
70±n/a nM
Citation
 Petrocchi, A; Koch, U; Matassa, VG; Pacini, B; Stillmock, KA; Summa, V From dihydroxypyrimidine carboxylic acids to carboxamide HIV-1 integrase inhibitors: SAR around the amide moiety. Bioorg Med Chem Lett 17:350-3 (2007) [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:
BDBM50476518
Synonyms:
CHEMBL277754
Type:
Small organic molecule
Emp. Form.:
C17H15N3O3S
Mol. Mass.:
341.384
SMILES:
Cc1ccc(CNC(=O)c2nc(nc(O)c2O)-c2cccs2)cc1
Structure:
Search PDB for entries with ligand similarity: