SEQ2FUN

BioLiP

PDB CCD ID: A1C95
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2
InChI: InChI=1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(Cc2ccncc2)cc1
OpenEye OEToolkits 3.1.0.0c1cc(ccc1Cc2ccncc2)N
ACDLabs 14.52Nc1ccc(cc1)Cc1ccncc1
Name:4-[(pyridin-4-yl)methyl]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).