Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50476518
Substrate
n/a
Meas. Tech.
ChEMBL_622084 (CHEMBL1111323)
IC50
71±n/a nM
Citation
 de Melo, EB; Ferreira, MM Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors. Eur J Med Chem 44:3577-83 (2009) [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: