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BioLiP Library

PDB CCD ID: APY
Number of entries in BioLiP: 3
Chemical formula: C6 H8 N2
InChI: InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
InChIKey: WOXFMYVTSLAQMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccnc(c1)CN
ACDLabs 10.04n1ccccc1CN
CACTVS 3.341NCc1ccccn1
Name:2-AMINOMETHYL-PYRIDINE
ChEMBL: CHEMBL32189
ZINC: ZINC000000011050
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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