BioLiP

PDB

BioLiP

PDB CCD ID:

NO9

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O5 S

InChI:

InChI=1S/C7H9NO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)(H2,8,11,12)

InChIKey:

YPWRJNLSEWKOGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O
CACTVS 3.385	Cc1oc(C)c(c1C(O)=O)[S](N)(=O)=O

Name:

2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid

ZINC:

ZINC000032627677

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).