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BioLiP

PDB CCD ID: A1AP7
Number of entries in BioLiP: 13
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c1-7-6-11-12-9(7)8-2-4-10-5-3-8/h2-6H,1H3,(H,11,12)
InChIKey: DIJNPLGAABOOQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1cn[NH]c1c1ccncc1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1cn[nH]c1c2ccncc2
Name:4-(4-methyl-1H-pyrazol-5-yl)pyridine
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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