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BioLiP

PDB CCD ID: 75T
Number of entries in BioLiP: 1
Chemical formula: C24 H26 N2 O
InChI: InChI=1S/C24H26N2O/c1-18-23(6-3-13-26-18)17-27-24-9-7-19(8-10-24)21-4-2-5-22(16-21)20-11-14-25-15-12-20/h2-10,13,16,20,25H,11-12,14-15,17H2,1H3
InChIKey: ABQOLQKFNLZDIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4
CACTVS 3.385Cc1ncccc1COc2ccc(cc2)c3cccc(c3)C4CCNCC4
ACDLabs 12.01C1CNCCC1c2cc(ccc2)c3ccc(cc3)OCc4c(nccc4)C
Name:2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine
ChEMBL: CHEMBL4101887
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)(download the PDF file).
  • 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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