SEQ2FUN

BioLiP

PDB CCD ID: FPL
Number of entries in BioLiP: 8
Chemical formula: C12 H9 F O2
InChI: InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
InChIKey: DEMPPYSGPXLMNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)Oc2ccc(cc2O)F
ACDLabs 12.01Fc2ccc(Oc1ccccc1)c(O)c2
CACTVS 3.370Oc1cc(F)ccc1Oc2ccccc2
Name:5-fluoro-2-phenoxyphenol
ChEMBL: CHEMBL149009
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).