BioLiP

PDB

BioLiP

PDB CCD ID:

KVU

Number of entries in BioLiP:

Chemical formula:

C7 H6 Cl2 N2 O2

InChI:

InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)

InChIKey:

DJPGEWSKXZZHCC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)Nc1ccc(Cl)cc1Cl
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)Cl)NC(=O)NO

Name:

1-(2,4-dichlorophenyl)-3-oxidanyl-urea

ZINC:

ZINC000000396718

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).