BioLiP

PDB

BioLiP

PDB CCD ID:

VGS

Number of entries in BioLiP:

Chemical formula:

C7 H12 N4 O3 S2

InChI:

InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)

InChIKey:

FNKGYWFCFILCJW-UHFFFAOYSA-N

SMILES:

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

Name:

2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

ChEMBL:

CHEMBL23579

ZINC:

ZINC000013471993

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).