Ligand name: (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
PDB ligand accession: 2A4
DrugBank: n/a
PubChem: 91623326
ChEMBL: n/a
InChI Key: UQBHGHYHMDIPAL-QGSYYBFSSA-N
SMILES: CC1(C(OC(O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C
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 Q15661

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MPV	Download	Experimental	e4mpvA1 e4mpvB1	cradle loop barrel cradle loop barrel	LigPlot