Ligand name: ADA-(AHX)3-(LEU)3-VINYL SULFONE
PDB ligand accession: KNM
DrugBank: n/a
PubChem: 137349651
ChEMBL: n/a
InChI Key: BVBBFBDIMMETKA-GNKIUVBNSA-N
SMILES: CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P49720

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5A0Q	Download	Experimental	e5a0qI1 e5a0qJ1 e5a0qW1 e5a0qX1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot