Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50115579
Substrate
n/a
Meas. Tech.
ChEMBL_371486 (CHEMBL869710)
IC50
82000±n/a nM
Citation
Sechi, M; Bacchi, A; Carcelli, M; Compari, C; Duce, E; Fisicaro, E; Rogolino, D; Gates, P; Derudas, M; Al-Mawsawi, LQ; Neamati, N From ligand to complexes: inhibition of human immunodeficiency virus type 1 integrase by beta-diketo acid metal complexes. J Med Chem 49:4248-60 (2006) [PubMed] Article
More Info.:
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:
BDBM50115579
Synonyms:
(Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid (0.25H2O) | CHEMBL16326 | CHEMBL19332 | CHEMBL467389 | Sacchettini_CTRL
Type:
Small organic molecule
Emp. Form.:
C10H8O4
Mol. Mass.:
192.1681
SMILES:
OC(=O)C(=O)CC(=O)c1ccccc1