SEQ2FUN

BioLiP

PDB CCD ID: 0YC
Number of entries in BioLiP: 0
Chemical formula: C6 H8 N2
InChI: InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
InChIKey: HDOUGSFASVGDCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1cccnc1
ACDLabs 12.01n1cccc(c1)CN
OpenEye OEToolkits 1.7.6c1cc(cnc1)CN
Name:1-(pyridin-3-yl)methanamine
ChEMBL: CHEMBL1988272
ZINC: ZINC000000001944
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).