BioLiP

PDB

BioLiP

PDB CCD ID:

A1CVN

Number of entries in BioLiP:

Chemical formula:

C9 H10 Cl2 N2 O

InChI:

InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-7-5-3-4-6(10)8(7)11/h3-5H,1-2H3,(H,12,14)

InChIKey:

ZVPQMESWKIQHGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(C)C(=O)Nc1cccc(c1Cl)Cl
CACTVS 3.385	CN(C)C(=O)Nc1cccc(Cl)c1Cl
ACDLabs 14.52	Clc1c(NC(=O)N(C)C)cccc1Cl

Name:

N'-(2,3-dichlorophenyl)-N,N-dimethylurea

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).