BioLiP

PDB

BioLiP

PDB CCD ID:

SQ7

Number of entries in BioLiP:

Chemical formula:

C9 H5 Cl N2 O2

InChI:

InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H

InChIKey:

NBCHVOUDLBVSEK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(cc1)N2C(=O)C=NC2=O
OpenEye OEToolkits 2.0.6	c1cc(ccc1N2C(=O)C=NC2=O)Cl

Name:

3-(4-chlorophenyl)imidazole-2,4-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).