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BioLiP

PDB CCD ID: IAW
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O S
InChI: InChI=1S/C9H7N3OS/c1-13-6-2-3-7-8(4-6)14-9-11-10-5-12(7)9/h2-5H,1H3
InChIKey: VBZWNZIFSFRMTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2n3cnnc3sc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)sc3n2cnn3
Name:6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
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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