SEQ2FUN

BioLiP

PDB CCD ID: NNW
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N2
InChI: InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
InChIKey: TXQWFIVRZNOPCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1ccncc1
OpenEye OEToolkits 1.7.2c1cnccc1CN
ACDLabs 12.01n1ccc(cc1)CN
Name:1-(pyridin-4-yl)methanamine
ChEMBL: CHEMBL1188378
ZINC: ZINC000000158598
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).