BioLiP

PDB

BioLiP

PDB CCD ID:

D2S

Number of entries in BioLiP:

Chemical formula:

C12 H10 O4 S2

InChI:

InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H

InChIKey:

DCHQLQXIXWXHFP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(c(cc1O)O)SSc2ccc(cc2O)O
CACTVS 3.352	Oc1ccc(SSc2ccc(O)cc2O)c(O)c1
ACDLabs 11.02	S(Sc1ccc(O)cc1O)c2ccc(O)cc2O

Name:

4,4'-disulfanediyldibenzene-1,3-diol;
4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol

ZINC:

ZINC000058638438

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).