BioLiP

PDB

BioLiP

PDB CCD ID:

8L3

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.385	Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl

Name:

3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine

ChEMBL:

CHEMBL4559828

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).