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BioLiP Library

PDB CCD ID: ZC9
Number of entries in BioLiP: 2
Chemical formula: C8 H6 F N3
InChI: InChI=1S/C8H6FN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)
InChIKey: ADBMBWBQQBJNNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ncc1F)c2ccn[nH]2
ACDLabs 12.01Fc1cnc(cc1)c1ccn[NH]1
CACTVS 3.385Fc1ccc(nc1)c2[nH]ncc2
Name:(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
ZINC: ZINC000143636950
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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