Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50029198
Substrate
n/a
Meas. Tech.
ChEMBL_519245 (CHEMBL946684)
IC50
>100000±n/a nM
Citation
 Xia, CN; Li, HB; Liu, F; Hu, WX Synthesis of trans-caffeate analogues and their bioactivities against HIV-1 integrase and cancer cell lines. Bioorg Med Chem Lett 18:6553-7 (2008) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50029198
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl ester | (E)-benzyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl ester | CHEMBL133714 | Phenylmethyl 1-(3',4'-dihydroxyphenyl)propenate | benzyl 3-(3,4-dihydroxyphenyl)acrylate | benzyl caffeate
Type:
Small organic molecule
Emp. Form.:
C16H14O4
Mol. Mass.:
270.28
SMILES:
Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O
Structure:
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