BioLiP

PDB

BioLiP

PDB CCD ID:

DZ2

Number of entries in BioLiP:

Chemical formula:

C13 H7 Br2 Cl2 N O2

InChI:

InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20)

InChIKey:

IFLWCZRMFPKYBN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Brc1cc(cc(Br)c1O)NC(=O)c2cc(Cl)ccc2Cl
CACTVS 3.341	Oc1c(Br)cc(NC(=O)c2cc(Cl)ccc2Cl)cc1Br
OpenEye OEToolkits 1.5.0	c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl

Name:

2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide

ChEMBL:

CHEMBL489285

DrugBank:

DB07694

ZINC:

ZINC000032116602

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).