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BioLiP Library

PDB CCD ID: 3N8
Number of entries in BioLiP: 35
Chemical formula: C6 H5 F O2
InChI: InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey: NFWGQJUHSAGJBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1F)O)O
ACDLabs 12.01Fc1cc(O)c(O)cc1
CACTVS 3.385Oc1ccc(F)cc1O
Name:4-fluorobenzene-1,2-diol
ZINC: ZINC000002244021
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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