BioLiP

PDB

BioLiP

PDB CCD ID:

GC8

Number of entries in BioLiP:

Chemical formula:

C20 H22 Cl2 N2 O2

InChI:

InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)

InChIKey:

KHNVQJDWUHRVDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl
CACTVS 3.385	Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
ACDLabs 12.01	Clc3ccc(OCC(=O)Nc1ccc(cc1)CN2CCCCC2)c(Cl)c3

Name:

2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide

ChEMBL:

CHEMBL1459580

ZINC:

ZINC000004991007

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).