Ligand name: [4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone
PDB ligand accession: 6PD
DrugBank: n/a
PubChem: 126480597
ChEMBL: CHEMBL4476514
InChI Key: LPCWQWNRCGWRFC-UHFFFAOYSA-N
SMILES: c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoyl derivatives

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
5JSJ	Download	Experimental	e5jsjA1 e5jsjA2 e5jsjA3 e5jsjB1 e5jsjB2 e5jsjB3	SH3 SH3 SH3 SH3 SH3 SH3	LigPlot