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BioLiP

PDB CCD ID: 3FA
Number of entries in BioLiP: 5
Chemical formula: C6 H5 F O2
InChI: InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey: DXOSJQLIRGXWCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc1cccc(O)c1O
CACTVS 3.341Oc1cccc(F)c1O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)F)O)O
Name:3-FLUOROBENZENE-1,2-DIOL;
3-FLUOROCATECHOL
ChEMBL: CHEMBL1230120
ZINC: ZINC000000164683
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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