Ligand name: N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide
PDB ligand accession: 8W4
DrugBank: n/a
PubChem: 126961340
ChEMBL: CHEMBL4065655
InChI Key: WBWSVNAKBNLSOJ-WXWREJFYSA-N
SMILES: CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)NC(Cc4ccccc4)C(C5C(=O)N(CCN5)Cc6ccccc6)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
5V0N	Download	Experimental	e5v0nA1 e5v0nA2 e5v0nB2 e5v0nB1 e5v0nB2 e5v0nC1 e5v0nC2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot