BioLiP

PDB

BioLiP

PDB CCD ID:

GB4

Number of entries in BioLiP:

Chemical formula:

C9 H7 Cl2 N O2

InChI:

InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+

InChIKey:

LHTLDFWBUPYUDR-DUXPYHPUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1Cl)Cl)C=CC(=O)NO
OpenEye OEToolkits 1.5.0	c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO
CACTVS 3.341	ONC(=O)C=Cc1ccc(Cl)cc1Cl
CACTVS 3.341	ONC(=O)\C=C\c1ccc(Cl)cc1Cl
ACDLabs 10.04	Clc1cc(Cl)ccc1/C=C/C(=O)NO

Name:

(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE;
2,4-DICHLOROCINNAMYLHYDROXAMATE

ChEMBL:

CHEMBL237370

DrugBank:

DB07818

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).