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BioLiP

PDB CCD ID: 2OK
Number of entries in BioLiP: 4
Chemical formula: C21 H21 N O3
InChI: InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3
InChIKey: WAAJEIGWGSZNPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC
CACTVS 3.385COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2
ACDLabs 12.01O(c1cc(cc(OC)c1)C)c2cc(nc(c2)C)c3ccc(OC)cc3
Name:4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
ChEMBL: CHEMBL2178862
ZINC: ZINC000095572133
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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