SEQ2FUN

BioLiP

PDB CCD ID: 9VO
Number of entries in BioLiP: 5
Chemical formula: C12 H12 N2
InChI: InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
InChIKey: WYHXNQXDQQMTQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(Nc1ccccn1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNc2ccccn2
Name:N-(phenylmethyl)pyridin-2-amine
ChEMBL: CHEMBL391815
ZINC: ZINC000019117258
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).