BioLiP

PDB

BioLiP

PDB CCD ID:

EEK

Number of entries in BioLiP:

Chemical formula:

C9 H8 Cl2 N2 O3

InChI:

InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)

InChIKey:

ZGACHNBRFOETSO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl
CACTVS 3.385	ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1

Name:

~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide

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).