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BioLiP

PDB CCD ID: 8BK
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O2 S
InChI: InChI=1S/C11H10N2O2S/c12-11(14)8-1-3-9(4-2-8)15-6-10-5-13-7-16-10/h1-5,7H,6H2,(H2,12,14)
InChIKey: QVXUTHMJYRUHJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)OCc2cncs2
CACTVS 3.385NC(=O)c1ccc(OCc2scnc2)cc1
Name:4-(1,3-thiazol-5-ylmethoxy)benzamide
ChEMBL: CHEMBL5185078
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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