SEQ2FUN

BioLiP

PDB CCD ID: 9NN
Number of entries in BioLiP: 3
Chemical formula: C6 H9 N3
InChI: InChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)
InChIKey: YKQKTLFFQSDTGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccnc(N)c1
OpenEye OEToolkits 2.0.7c1cnc(cc1CN)N
Name:4-(aminomethyl)pyridin-2-amine
ChEMBL: CHEMBL4525507
ZINC: ZINC000026895238
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).