BioLiP

PDB

BioLiP

PDB CCD ID:

7G5

Number of entries in BioLiP:

Chemical formula:

C16 H14 O4 S

InChI:

InChI=1S/C16H14O4S/c17-13-5-1-11(2-6-13)15-9-21(19,20)10-16(15)12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2

InChIKey:

WTIPNJGTHSVJRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O
CACTVS 3.385	Oc1ccc(cc1)C2=C(C[S](=O)(=O)C2)c3ccc(O)cc3
ACDLabs 12.01	c1cc(O)ccc1C=2CS(CC=2c3ccc(cc3)O)(=O)=O

Name:

3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione

ZINC:

ZINC000584905466

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).