Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50145950
Substrate
n/a
Meas. Tech.
ChEMBL_90551 (CHEMBL701901)
IC50
200±n/a nM
Citation
 Long, YQ; Jiang, XH; Dayam, R; Sanchez, T; Shoemaker, R; Sei, S; Neamati, N Rational design and synthesis of novel dimeric diketoacid-containing inhibitors of HIV-1 integrase: implication for binding to two metal ions on the active site of integrase. J Med Chem 47:2561-73 (2004) [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:
BDBM50145950
Synonyms:
(Z)-4-{3-[[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-(2-fluoro-phenyl)-methyl]-phenyl}-2-hydroxy-4-oxo-but-2-enoic acid | CHEMBL86133
Type:
Small organic molecule
Emp. Form.:
C27H19FO8
Mol. Mass.:
490.4334
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(c1)C(c1cccc(c1)C(=O)CC(=O)C(O)=O)c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: