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BioLiP

PDB CCD ID: 5DH
Number of entries in BioLiP: 2
Chemical formula: C21 H15 N O2
InChI: InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H
InChIKey: PMKMHLVHNOXPOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)C(c2ccc(O)cc2)=C(C#N)c3ccccc3
ACDLabs 12.01N#C\C(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N
Name:3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
ChEMBL: CHEMBL65053
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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