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BioLiP

PDB CCD ID: B77
Number of entries in BioLiP: 5
Chemical formula: C14 H15 N O2
InChI: InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
InChIKey: AVXQTLSOXWQOHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COc1ccc(C)cc1OCc2ccccn2
OpenEye OEToolkits 1.7.0Cc1ccc(c(c1)OCc2ccccn2)OC
ACDLabs 11.02O(c1cc(ccc1OC)C)Cc2ncccc2
Name:2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
DrugBank: DB07427
ZINC: ZINC000053683040
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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