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BioLiP

PDB CCD ID: I9L
Number of entries in BioLiP: 1
Chemical formula: C8 H4 Cl N3 S
InChI: InChI=1S/C8H4ClN3S/c9-5-1-2-6-7(3-5)13-8-11-10-4-12(6)8/h1-4H
InChIKey: HBTRVOWZNDAHAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)sc3n2cnn3
CACTVS 3.385Clc1ccc2n3cnnc3sc2c1
Name:6-chloranyl-[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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