BioLiP

PDB

BioLiP

PDB CCD ID:

XZO

Number of entries in BioLiP:

Chemical formula:

C10 H7 Cl2 N O2

InChI:

InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2

InChIKey:

CFZLNRGUBAVQNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O
OpenEye OEToolkits 2.0.7	c1c(cc(cc1Cl)Cl)N2C(=O)CCC2=O
CACTVS 3.385	Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O

Name:

1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

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).