BioLiP

PDB

BioLiP

PDB CCD ID:

M5B

Number of entries in BioLiP:

Chemical formula:

C7 H7 N3 O2 S2

InChI:

InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)

InChIKey:

ATSVZZXTTMVGSI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2
CACTVS 3.385	O=[S](=O)(Nc1[nH]ccn1)c2sccc2

Name:

~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide

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).