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BioLiP Library

PDB CCD ID: 83D
Number of entries in BioLiP: 4
Chemical formula: C14 H11 F O3
InChI: InChI=1S/C14H11FO3/c15-14(10-1-3-11(16)4-2-10)7-9-5-12(17)8-13(18)6-9/h1-8,16-18H/b14-7-
InChIKey: PNBPFKSSWYNPPD-AUWJEWJLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)/C(F)=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 2.0.6c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=Cc2cc(cc(c2)O)O)F)O
CACTVS 3.385Oc1ccc(cc1)C(F)=Cc2cc(O)cc(O)c2
ACDLabs 12.01c1c(cc(cc1O)/C=C(/c2ccc(cc2)O)F)O
Name:5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
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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