Ligand name: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
PDB ligand accession: 0BI
DrugBank: n/a
PubChem: 44631842
ChEMBL: CHEMBL595066
InChI Key: GCZHKZTYTMTFGU-JHOUSYSJSA-N
SMILES: CC(C)c1cccc(c1)C2(CC2)NCC(C3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolactams
      • Subclass: None

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
5QD7	Download	Experimental	e5qd7A1 e5qd7A2 e5qd7B1 e5qd7B2 e5qd7C1 e5qd7C2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3K5C	Download	Experimental	e3k5cA2 e3k5cA3 e3k5cB2 e3k5cB3 e3k5cC2 e3k5cC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot