SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C6 H10 N4 O3 S2

InChI:

InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)

InChIKey:

DVZGQBMHOJKRPI-UHFFFAOYSA-N

SMILES:

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

Name:

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

ChEMBL:

ZINC:

ZINC000064573294

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).