SEQ2FUN

BioLiP

PDB CCD ID: 45X
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2
InChI: InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2
InChIKey: NAHHNSMHYCLMON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cnc1)CCN
CACTVS 3.385NCCc1cccnc1
ACDLabs 12.01n1cccc(c1)CCN
Name:2-(pyridin-3-yl)ethanamine
ChEMBL: CHEMBL1256004
ZINC: ZINC000000403368
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).