Ligand name: 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
PDB ligand accession: U64
DrugBank: n/a
PubChem: 126557115
ChEMBL: CHEMBL4760458
InChI Key: VZHFJCNPAIRJSA-MYMUPAQMSA-N
SMILES: CC1(C2CC2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)C=C(c5ccc(cn5)C#N)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: 3-pyridinecarbonitriles

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
6WNY	Download	Experimental	e6wnyA1 e6wnyA2	cradle loop barrel cradle loop barrel	LigPlot