Ligand name: N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
PDB ligand accession: X1A
DrugBank: n/a
PubChem: 155804593
ChEMBL: CHEMBL4742928
InChI Key: DSEWUBFXIVTHKH-UHFFFAOYSA-N
SMILES: Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Triazolopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q0TR53

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KHV	Download	Experimental	e7khvA2 e7khvB1 e7khvA3 e7khvB2 e7khvC3 e7khvD2 e7khvC1 e7khvD3 e7khvE1 e7khvE3 e7khvF3 e7khvE1 e7khvE3 e7khvF1	TIM beta/alpha-barrel Hyaluronidase domain-like Hyaluronidase domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel Hyaluronidase domain-like Hyaluronidase domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel Hyaluronidase domain-like Hyaluronidase domain-like TIM beta/alpha-barrel Hyaluronidase domain-like TIM beta/alpha-barrel	LigPlot