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BioLiP

PDB CCD ID: E0J
Number of entries in BioLiP: 4
Chemical formula: C14 H15 N O2
InChI: InChI=1S/C14H15NO2/c1-11-9-13(16-2)6-7-14(11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
InChIKey: IJQMLIQZWDSRCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccc(c(C)c1)OCc2ccccn2)OC
CACTVS 3.385COc1ccc(OCc2ccccn2)c(C)c1
OpenEye OEToolkits 2.0.6Cc1cc(ccc1OCc2ccccn2)OC
Name:2-[(4-methoxy-2-methylphenoxy)methyl]pyridine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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