SEQ2FUN

BioLiP

PDB CCD ID: A1IWU
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N3
InChI: InChI=1S/C6H9N3/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3,7H2,(H2,8,9)
InChIKey: PHBVTMQLXNCAQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ncc1CN)N
CACTVS 3.385NCc1ccc(N)nc1
Name:5-(aminomethyl)pyridin-2-amine
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).