SEQ2FUN

BioLiP

PDB CCD ID: EI3
Number of entries in BioLiP: 3
Chemical formula: C12 H12 N2
InChI: InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
InChIKey: PTRATZCAGVBFIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc(nc1)c2ccc(cn2)C
CACTVS 3.385Cc1ccc(nc1)c2ccc(C)cn2
Name:5-methyl-2-(5-methylpyridin-2-yl)pyridine
ChEMBL: CHEMBL2205807
DrugBank: DB11932
ZINC: ZINC000000403335

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).