BioLiP

PDB

BioLiP

PDB CCD ID:

DLH

Number of entries in BioLiP:

Chemical formula:

C19 H18 Cl N O3

InChI:

InChI=1S/C19H18ClNO3/c20-15-7-5-14(6-8-15)13-18(22)21-11-9-19(10-12-21)23-16-3-1-2-4-17(16)24-19/h1-8H,9-13H2

InChIKey:

FYEGABNDKDAYPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl

Name:

2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone

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).