BioLiP

PDB

BioLiP

PDB CCD ID:

Q23

Number of entries in BioLiP:

Chemical formula:

C10 H10 O5 S2

InChI:

InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2/t9-/m1/s1

InChIKey:

RFHUNIXPGHBTTE-SECBINFHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S2(=O)C=CC(OS(=O)(=O)c1ccccc1)C2
CACTVS 3.370	O=[S]1(=O)C[CH](O[S](=O)(=O)c2ccccc2)C=C1
OpenEye OEToolkits 1.7.0	c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2
CACTVS 3.370	O=[S]1(=O)C[C@H](O[S](=O)(=O)c2ccccc2)C=C1
OpenEye OEToolkits 1.7.0	c1ccc(cc1)S(=O)(=O)OC2CS(=O)(=O)C=C2

Name:

(3R)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate

ZINC:

ZINC000002552021

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).