SEQ2FUN

BioLiP

PDB CCD ID: 3C5
Number of entries in BioLiP: 2
Chemical formula: C13 H14 N2
InChI: InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
InChIKey: LZJRRTLTBULOHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CNCc1cccc(c1)c2cccnc2
ACDLabs 12.01n2cccc(c1cc(ccc1)CNC)c2
Name:N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
ChEMBL: CHEMBL3402235
ZINC: ZINC000003880944
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).