Ligand name: (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
PDB ligand accession: 008
DrugBank: DB04578
PubChem: 5494385
ChEMBL: CHEMBL381806
InChI Key: OEVYDSSAPNIURZ-AEFFLSMTSA-N
SMILES: c1ccc2c(c1)CC(N(C2)C(=O)CC(Cc3ccccc3F)N)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

List of PDB structures and/or AlphaFold models with target protein P22411

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BUC	Download	Experimental	e2bucA2 e2bucA1 e2bucB2 e2bucB1 e2bucC2 e2bucC1 e2bucD2 e2bucD1	alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like	LigPlot