SEQ2FUN

BioLiP

PDB CCD ID: B78
Number of entries in BioLiP: 3
Chemical formula: C14 H15 N O2
InChI: InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3
InChIKey: MBHBRRBLXCXQKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1ccc(cc1OCc2ccncc2)OC
ACDLabs 11.02O(c1cc(OC)ccc1C)Cc2ccncc2
CACTVS 3.352COc1ccc(C)c(OCc2ccncc2)c1
Name:4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
DrugBank: DB07428
ZINC: ZINC000053683042
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).