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BioLiP

PDB CCD ID: I6D
Number of entries in BioLiP: 2
Chemical formula: C9 H7 N3 S
InChI: InChI=1S/C9H7N3S/c1-6-2-3-8-7(4-6)12-5-10-11-9(12)13-8/h2-5H,1H3
InChIKey: AYAUSTLAUXOBIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)n3cnnc3s2
CACTVS 3.385Cc1ccc2sc3nncn3c2c1
Name:7-methyl-[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)(download the PDF file).
  • 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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