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BioLiP

PDB CCD ID: R9O
Number of entries in BioLiP: 1
Chemical formula: C11 H8 Cl N O3 S
InChI: InChI=1S/C11H8ClNO3S/c12-7-3-1-2-4-9(7)16-5-10-13-8(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey: BQYZYDJLVVVRCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1csc(COc2ccccc2Cl)n1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)OCc2nc(cs2)C(=O)O)Cl
CACTVS 3.385OC(=O)c1csc(COc2ccccc2Cl)n1
Name:2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
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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