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BioLiP

PDB CCD ID: 7NW
Number of entries in BioLiP: 0
Chemical formula: C5 H5 N O2 S
InChI: InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKey: ZHDRDZMTEOIWSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1scc(n1)C(O)=O
OpenEye OEToolkits 2.0.6Cc1nc(cs1)C(=O)O
Name:2-methyl-1,3-thiazole-4-carboxylic acid
ChEMBL: CHEMBL5186679
ZINC: ZINC000000158613
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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