Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50095515
Substrate
n/a
Meas. Tech.
ChEMBL_90550 (CHEMBL701900)
IC50
2500±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:
BDBM50095515
Synonyms:
4-[3-(2-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric acid | CHEMBL145280 | CHEMBL85802
Type:
Small organic molecule
Emp. Form.:
C17H13FO4
Mol. Mass.:
300.2811
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1
Structure:
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