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BioLiP

PDB CCD ID: TMT
Number of entries in BioLiP: 1
Chemical formula: C6 H10 N S
InChI: InChI=1S/C6H10NS/c1-5-4-8-6(2)7(5)3/h4H,1-3H3/q+1
InChIKey: UHOYCVRPRYFLFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1scc(C)[n+]1C
OpenEye OEToolkits 1.5.0Cc1csc([n+]1C)C
ACDLabs 10.04s1cc([n+](c1C)C)C
Name:2,3,4-TRIMETHYL-1,3-THIAZOLE
ZINC: ZINC000000160217
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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