Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50178722
Substrate
n/a
Meas. Tech.
ChEMBL_326392 (CHEMBL867583)
IC50
34000±n/a nM
Citation
 Dayam, R; Sanchez, T; Neamati, N Diketo acid pharmacophore. 2. Discovery of structurally diverse inhibitors of HIV-1 integrase. J Med Chem 48:8009-15 (2005) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50178722
Synonyms:
2-(4-((4-chlorophenylthio)methyl)-6-oxo-1,6-dihydropyrimidin-2-ylthio)-N-(2,4-dichlorophenyl)acetamide | CHEMBL198894
Type:
Small organic molecule
Emp. Form.:
C19H14Cl3N3O2S2
Mol. Mass.:
486.822
SMILES:
Clc1ccc(SCc2cc(=O)[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1
Structure:
Search PDB for entries with ligand similarity: