SEQ2FUN

BioLiP

PDB CCD ID: A1IPO
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N O
InChI: InChI=1S/C8H11NO/c1-6-7(2)9-5-4-8(6)10-3/h4-5H,1-3H3
InChIKey: BZAARVXVDWLOFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(nccc1OC)C
CACTVS 3.385COc1ccnc(C)c1C
Name:4-methoxy-2,3-dimethyl-pyridine
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).