SEQ2FUN

BioLiP

PDB CCD ID: DTI
Number of entries in BioLiP: 1
Chemical formula: C5 H8 N S
InChI: InChI=1S/C5H8NS/c1-5-3-7-4-6(5)2/h3-4H,1-2H3/q+1
InChIKey: RHRPPNDIWVFSRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01s1cc([n+](c1)C)C
CACTVS 3.370
OpenEye OEToolkits 1.7.6		Cc1csc[n+]1C
Name:3,4-DIMETHYLTHIAZOLIUM ION
ChEMBL: CHEMBL1232387
ZINC: ZINC000001715414
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).