SEQ2FUN

BioLiP

PDB CCD ID: I1Q
Number of entries in BioLiP: 5
Chemical formula: C9 H7 N3 S
InChI: InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3
InChIKey: HRBVAEOOKCYONQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2n3cnnc3sc2c1
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)sc3n2cnn3
Name:6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;
7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
ChEMBL: CHEMBL4296925
ZINC: ZINC000002024923
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).