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BioLiP Library

PDB CCD ID: 6TZ
Number of entries in BioLiP: 1
Chemical formula: C9 H7 F N2
InChI: InChI=1S/C9H7FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)
InChIKey: WKIRCCSDGDQJJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)F)c2cc[nH]n2
CACTVS 3.385Fc1cccc(c1)c2cc[nH]n2
Name:3-(3-fluorophenyl)-1H-pyrazole
ZINC: ZINC000004348130
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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