SEQ2FUN

BioLiP

PDB CCD ID: BL0
Number of entries in BioLiP: 1
Chemical formula: C5 H10 N4 O2 S2
InChI: InChI=1S/C5H10N4O2S2/c1-9(2)5-8-7-4(12-5)3-13(6,10)11/h3H2,1-2H3,(H2,6,10,11)
InChIKey: HZGQWVQLUYIYQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)c1sc(C[S](N)(=O)=O)nn1
OpenEye OEToolkits 1.5.0CN(C)c1nnc(s1)CS(=O)(=O)N
ACDLabs 10.04O=S(=O)(N)Cc1nnc(s1)N(C)C
Name:1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide;
2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide
ChEMBL: CHEMBL403287
ZINC: ZINC000029127817
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).