BioLiP

PDB

BioLiP

PDB CCD ID:

IWG

Number of entries in BioLiP:

Chemical formula:

C12 H7 Cl N2 O S

InChI:

InChI=1S/C12H7ClN2OS/c13-10-5-6-11(16-12-7-14-15-17-12)9-4-2-1-3-8(9)10/h1-7H

InChIKey:

MXBFWTAMROYSLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccc(Oc2cnns2)c2ccccc21
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(ccc2Cl)Oc3cnns3
CACTVS 3.385	Clc1ccc(Oc2snnc2)c3ccccc13

Name:

5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole

ZINC:

ZINC000001388232

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).