SEQ2FUN

BioLiP

PDB CCD ID: JNE
Number of entries in BioLiP: 2
Chemical formula: C13 H14 N2
InChI: InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)
InChIKey: FJZQUYGOKRVORO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(n1)NCc2ccccc2
CACTVS 3.385Cc1cccc(NCc2ccccc2)n1
Name:6-methyl-~{N}-(phenylmethyl)pyridin-2-amine
ChEMBL: CHEMBL211000
ZINC: ZINC000000389644
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).