Ligand name: 2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate
PDB ligand accession: R3F
DrugBank: n/a
PubChem: 155884484
ChEMBL: n/a
InChI Key: UATRTQBFYDMLCB-WXZSZNCQSA-N
SMILES: CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)COC6C(C(C(C(O6)C)O)O)O)N(CC)CC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 1-benzopyrans

List of PDB structures and/or AlphaFold models with target protein A0A0S4TLR1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7E7N	Download	Experimental	e7e7nA1	beta-propeller-like	LigPlot
7E7V	Download	Experimental	e7e7vA1 e7e7vB1 e7e7vC1	beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot