BioLiP

PDB

BioLiP

PDB CCD ID:

B1T

Number of entries in BioLiP:

Chemical formula:

C12 H6 Cl4 O2 S

InChI:

InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H

InChIKey:

JFIOVJDNOJYLKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
ACDLabs 10.04	Clc2cc(Cl)cc(Sc1cc(Cl)cc(Cl)c1O)c2O
CACTVS 3.341	Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O

Name:

2,2'-sulfanediylbis(4,6-dichlorophenol)

ChEMBL:

CHEMBL290106

DrugBank:

DB04813

ZINC:

ZINC000000608213

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).