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BioLiP

PDB CCD ID: 8H8
Number of entries in BioLiP: 13
Chemical formula: C7 H4 F N O
InChI: InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey: REIVHYDACHXPNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1O)F)C#N
CACTVS 3.385Oc1ccc(C#N)c(F)c1
ACDLabs 12.01Fc1c(C#N)ccc(O)c1
Name:2-fluoro-4-hydroxybenzonitrile
ZINC: ZINC000000161696
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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