BioLiP

PDB

BioLiP

PDB CCD ID:

QOG

Number of entries in BioLiP:

Chemical formula:

C6 H11 N5 O3 S2

InChI:

InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12)

InChIKey:

YLZWSQAIKQWBTO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N
CACTVS 3.385	CC(C)NC(=O)Nc1sc(nn1)[S](N)(=O)=O
ACDLabs 12.01	C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1

Name:

5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-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).