Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50145956
Substrate
n/a
Meas. Tech.
ChEMBL_90550 (CHEMBL701900)
IC50
1700±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:
BDBM50145956
Synonyms:
(Z)-4-(3-{4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenoxymethyl]-benzyloxy}-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid | CHEMBL86930
Type:
Small organic molecule
Emp. Form.:
C28H22O10
Mol. Mass.:
518.4683
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(OCc2ccc(COc3cccc(c3)C(=O)CC(=O)C(O)=O)cc2)c1
Structure:
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