SEQ2FUN

BioLiP

PDB CCD ID: 1LN
Number of entries in BioLiP: 2
Chemical formula: C7 H11 N2 O
InChI: InChI=1S/C7H11N2O/c8-7-3-1-2-4-9(7)5-6-10/h1-4,10H,5-6,8H2
InChIKey: BFRGFNNQJWMZSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=CC=[N](C(=C1)N)CCO
CACTVS 3.370Nc1ccccn1CCO
Name:2-(2-aminopyridin-1-ium-1-yl)ethanol
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).