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BioLiP

PDB CCD ID: YLW
Number of entries in BioLiP: 10
Chemical formula: C6 H2 F2 N2
InChI: InChI=1S/C6H2F2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H
InChIKey: KILHWBMAVSISMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cnc(F)c(c1)C#N
OpenEye OEToolkits 2.0.7c1c(cnc(c1C#N)F)F
Name:2,5-bis(fluoranyl)pyridine-3-carbonitrile
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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