BioLiP

PDB

BioLiP

PDB CCD ID:

A1ELE

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4 O4 S2

InChI:

InChI=1S/C17H16N4O4S2/c1-11-5-3-7-13(9-11)21-27(23,24)17-20-19-16(26-17)18-15(22)12-6-4-8-14(10-12)25-2/h3-10,21H,1-2H3,(H,18,19,22)

InChIKey:

NAATWMSNCJQUAW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC
CACTVS 3.385	COc1cccc(c1)C(=O)Nc2sc(nn2)[S](=O)(=O)Nc3cccc(C)c3

Name:

3-methoxy-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide;
CHEMBL1436015

ChEMBL:

CHEMBL1436015

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).