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Target
Integrase
Ligand
BDBM50029207
Substrate
n/a
Meas. Tech.
ChEMBL_88769 (CHEMBL857173)
IC50
7079±n/a nM
Citation
 Buolamwini, JK; Assefa, H CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site. J Med Chem 45:841-52 (2002) [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:
BDBM50029207
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | CAPE | CHEMBL319244 | caffeic acid phenethyl ester | caffeic acid phenethylester | caffeic acid phenylethyl ester | caffeic acid phenylethylester | caffeic acidphenethylester | phenethyl 3-(3,4-dihydroxyphenyl)acrylate | phenethyl caffeate
Type:
Small organic molecule
Emp. Form.:
C17H16O4
Mol. Mass.:
284.3065
SMILES:
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Structure:
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