BioLiP

PDB

BioLiP

PDB CCD ID:

Z3R

Number of entries in BioLiP:

Chemical formula:

C11 H8 N2 O2 S3

InChI:

InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)

InChIKey:

GKGZVFYMXSXLJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1scc(c1)c2sc3ccccc3n2
ACDLabs 12.01	O=S(=O)(N)c3scc(c1nc2ccccc2s1)c3
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N

Name:

4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

ChEMBL:

CHEMBL2069711

ZINC:

ZINC000038247838

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).