SEQ2FUN

BioLiP

PDB CCD ID: I9R
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 O2 S
InChI: InChI=1S/C10H9N3O2S/c1-14-6-3-4-7(15-2)9-8(6)13-5-11-12-10(13)16-9/h3-5H,1-2H3
InChIKey: VIBQQSCMGFVXHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(OC)c2n3cnnc3sc12
OpenEye OEToolkits 2.0.7COc1ccc(c2c1n3cnnc3s2)OC
Name:5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).