SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O5 S2

InChI:

InChI=1S/C10H9NO5S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)

InChIKey:

ZPDVRWNOCOREGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)C(=O)Nc1sc2CSCCc2c1C(O)=O
OpenEye OEToolkits 1.5.0	C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O
ACDLabs 10.04	O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCSC2

Name:

2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID

ChEMBL:

DrugBank:

ZINC:

ZINC000003591081

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).