BioLiP

PDB

BioLiP

PDB CCD ID:

Y34

Number of entries in BioLiP:

Chemical formula:

C7 H6 O4 S

InChI:

InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)

InChIKey:

DCCRIIFBJZOPAV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1scc2OCCOc12
ACDLabs 12.01	C2COc1c(csc1C(=O)O)O2
OpenEye OEToolkits 2.0.7	c1c2c(c(s1)C(=O)O)OCCO2

Name:

2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid

ZINC:

ZINC000005177765

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).