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BioLiP

PDB CCD ID: A1LY2
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
InChIKey: DFVSGZHJSIEEQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(c1ccncc1)c2c[nH]cn2
OpenEye OEToolkits 2.0.7c1cnccc1Cc2c[nH]cn2
Name:4-(1H-imidazol-4-ylmethyl)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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