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BioLiP

PDB CCD ID: RJY
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N O2 S
InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
InChIKey: QWWPUBQHZFHZSF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)c1csc(n1)C
ACDLabs 12.01Cc1scc(C(=O)OCC)n1
CACTVS 3.385CCOC(=O)c1csc(C)n1
Name:ethyl 2-methyl-1,3-thiazole-4-carboxylate
ZINC: ZINC000000120878
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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