SEQ2FUN

BioLiP

PDB CCD ID: 6RN
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2 O
InChI: InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-10-12-4-2-3-9-14-12/h2-9,15H,10H2,1H3
InChIKey: VZYUNDIQWDHYLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NCc2ccccn2
CACTVS 3.385COc1ccc(NCc2ccccn2)cc1
ACDLabs 12.01c2(NCc1ncccc1)ccc(OC)cc2
Name:4-methoxy-N-[(pyridin-2-yl)methyl]aniline
ZINC: ZINC000000157673
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).