BioLiP

PDB

BioLiP

PDB CCD ID:

VUT

Number of entries in BioLiP:

Chemical formula:

C13 H8 Cl2 N2 O4

InChI:

InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)

InChIKey:

RJMUSRYZPJIFPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
CACTVS 3.385	Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O

Name:

5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;
Niclosamide

ChEMBL:

CHEMBL1448

DrugBank:

DB06803

ZINC:

ZINC000003874496

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).