SEQ2FUN

BioLiP

PDB CCD ID: A1BDO
Number of entries in BioLiP: 1
Chemical formula: C14 H16 N2
InChI: InChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3
InChIKey: NYZHDBKVHXVXBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1ccc(cn1)CCNc2ccccc2
ACDLabs 14.52
CACTVS 3.385		Cc1ccc(CCNc2ccccc2)cn1
Name:N-[2-(6-methylpyridin-3-yl)ethyl]aniline
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).