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BioLiP Library

PDB CCD ID: 8L3
Number of entries in BioLiP: 10
Chemical formula: C18 H20 Cl2 N2 O
InChI: InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2
InChIKey: DFIMBYYXCVFOEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.385Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl
Name:3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
ChEMBL: CHEMBL4559828
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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