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BioLiP

PDB CCD ID: W2N
Number of entries in BioLiP: 2
Chemical formula: C14 H13 F O
InChI: InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m0/s1
InChIKey: TXGWVUKEBDNEBM-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H](O)c1ccc(cc1)c2ccccc2F
OpenEye OEToolkits 2.0.7C[C@@H](c1ccc(cc1)c2ccccc2F)O
CACTVS 3.385C[CH](O)c1ccc(cc1)c2ccccc2F
OpenEye OEToolkits 2.0.7CC(c1ccc(cc1)c2ccccc2F)O
Name:(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol
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).
  • 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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