Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50145955
Substrate
n/a
Meas. Tech.
ChEMBL_90551 (CHEMBL701901)
IC50
2700±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:
BDBM50145955
Synonyms:
(Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo-but-2-enoic acid (6-{(Z)-4-[3-(2-fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo-but-2-enoylamino}-hexyl)-amide | CHEMBL87771
Type:
Small organic molecule
Emp. Form.:
C40H38F2N2O6
Mol. Mass.:
680.7363
SMILES:
Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCCCCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1
Structure:
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