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BioLiP Library

PDB CCD ID: 5C8
Number of entries in BioLiP: 2
Chemical formula: C25 H20 O2
InChI: InChI=1S/C25H20O2/c1-17(21-7-6-18-4-2-3-5-22(18)16-21)25(19-8-12-23(26)13-9-19)20-10-14-24(27)15-11-20/h2-16,26-27H,1H3
InChIKey: ZLQRWQFKXZMTRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C/C(c1cc2c(cc1)cccc2)=C(/c3ccc(cc3)O)c4ccc(O)cc4
CACTVS 3.385CC(c1ccc2ccccc2c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
OpenEye OEToolkits 1.9.2CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3
Name:4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
ZINC: ZINC000584905062
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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