Ligand name: N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide
PDB ligand accession: 3HH
DrugBank: n/a
PubChem: 51000418
ChEMBL: n/a
InChI Key: ZAVRTXWWDAGODB-XDFJSJKPSA-N
SMILES: CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)NC(Cc3cc(cc(c3)F)F)C(CNCc4cccc(c4)OC)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OHH	Download	Experimental	e3ohhA2 e3ohhA3 e3ohhB2 e3ohhB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot