Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50059985
Substrate
n/a
Meas. Tech.
ChEMBL_90705 (CHEMBL873207)
IC50
>300000±n/a nM
Citation
 Mazumder, A; Neamati, N; Sunder, S; Schulz, J; Pertz, H; Eich, E; Pommier, Y Curcumin analogs with altered potencies against HIV-1 integrase as probes for biochemical mechanisms of drug action. J Med Chem 40:3057-63 (1997) [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:
BDBM50059985
Synonyms:
1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-dione | CHEMBL318743 | tetrahydrocurcumin
Type:
Small organic molecule
Emp. Form.:
C21H24O6
Mol. Mass.:
372.4117
SMILES:
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
Structure:
Search PDB for entries with ligand similarity: