SEQ2FUN

BioLiP

PDB CCD ID: D8B
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N O
InChI: InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3
InChIKey: STDHINPODVHROK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc(c1)C#Cc2cccc(C)n2
OpenEye OEToolkits 2.0.6Cc1cccc(n1)C#Cc2cccc(c2)OC
Name:2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine
ChEMBL: CHEMBL332397
ZINC: ZINC000013487233
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).