BioLiP

PDB

BioLiP

PDB CCD ID:

NZ9

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O4 S2

InChI:

InChI=1S/C8H9NO4S2/c10-8(11)7-6(3-4-14-7)15(12,13)9-5-1-2-5/h3-5,9H,1-2H2,(H,10,11)

InChIKey:

LMYZTCQLGNOUQX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(c1c(scc1)C(=O)O)NC2CC2
OpenEye OEToolkits 1.7.6	c1csc(c1S(=O)(=O)NC2CC2)C(=O)O
CACTVS 3.370	OC(=O)c1sccc1[S](=O)(=O)NC2CC2

Name:

3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid

ZINC:

ZINC000009494329

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).