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BioLiP

PDB CCD ID: I4X
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 S
InChI: InChI=1S/C11H11N3S/c1-7(2)8-3-4-9-10(5-8)15-11-13-12-6-14(9)11/h3-7H,1-2H3
InChIKey: AIOAOVHICBFQFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)c1ccc2c(c1)sc3n2cnn3
CACTVS 3.385CC(C)c1ccc2n3cnnc3sc2c1
Name:6-propan-2-yl-[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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