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BioLiP

PDB CCD ID: A1AFC
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N S
InChI: InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc(C)c(C)n1
OpenEye OEToolkits 2.0.7Cc1c(sc(n1)C)C
ACDLabs 12.01Cc1sc(C)nc1C
Name:2,4,5-trimethyl-1,3-thiazole
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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