Ligand name: 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
PDB ligand accession: XS1
DrugBank: n/a
PubChem: 138712432
ChEMBL: CHEMBL4861370
InChI Key: AZDBWGCCPWIFEF-NTYBTQPHSA-N
SMILES: c1ccc(cc1)CC2CC3CC2Oc4cccc(c4)Cn5cc(cn5)C(CCN3)c6cc(nc7c6nn[nH]7)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P05164

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7LAN	Download	Experimental	e7lanB1 e7lanG1 e7lanE1 e7lanG1 e7lanI1	Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases Heme-dependent peroxidases	LigPlot