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BioLiP

PDB CCD ID: 7NF
Number of entries in BioLiP: 0
Chemical formula: C7 H7 N O4 S
InChI: InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
InChIKey: CDZCZDWBECKRKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1scc(n1)C(O)=O
OpenEye OEToolkits 2.0.6CCOC(=O)c1nc(cs1)C(=O)O
Name:2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
ZINC: ZINC000040435366
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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