BioLiP

PDB

BioLiP

PDB CCD ID:

A1ELG

Number of entries in BioLiP:

Chemical formula:

C17 H13 F3 N4 O4 S2

InChI:

InChI=1S/C17H13F3N4O4S2/c1-10-4-2-6-12(8-10)24-30(26,27)16-23-22-15(29-16)21-14(25)11-5-3-7-13(9-11)28-17(18,19)20/h2-9,24H,1H3,(H,21,22,25)

InChIKey:

XHBDIMBSLVRCKA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC(F)(F)F
CACTVS 3.385	Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3cccc(OC(F)(F)F)c3)nn2)c1

Name:

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

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).