Ligand name: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
PDB ligand accession: H7T
DrugBank: n/a
PubChem: 137349494
ChEMBL: CHEMBL4451634
InChI Key: XPEJZXWPKDAYFX-UHFFFAOYSA-N
SMILES: CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein Q9Y657

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6I8B	Download	Experimental	e6i8bB1 e6i8bB2 e6i8bB3 e6i8bB2 e6i8bB3 e6i8bE1 e6i8bE2 e6i8bE3	SH3 SH3 SH3 SH3 SH3 SH3 SH3 SH3	LigPlot