BioLiP

PDB

BioLiP

PDB CCD ID:

RA9

Number of entries in BioLiP:

Chemical formula:

C10 H11 N5 O3 S3

InChI:

InChI=1S/C10H11N5O3S3/c11-9-14-15-10(20-9)19-5-8(16)13-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,14)(H,13,16)(H2,12,17,18)

InChIKey:

XOOCPGSAGIALAP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N
CACTVS 3.385	Nc1sc(SCC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nn1

Name:

2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide

ZINC:

ZINC000002260391

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).