Ligand name: (1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID
PDB ligand accession: M1N
DrugBank: DB04732
PubChem: 387442
ChEMBL: CHEMBL1234151
InChI Key: MQMHIOPMTAJOHV-RTWAWAEBSA-N
SMILES: B(C(CC(C)C)NC(=O)C(Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O
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 P9WHT9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2FHH	Download	Experimental	e2fhhH1 e2fhhL1 e2fhhP1 e2fhhH1 e2fhhC1 e2fhhE1 e2fhhC1 e2fhhE1 e2fhhR1 e2fhhG1 e2fhhN1 e2fhhV1 e2fhhC1 e2fhhJ1 e2fhhR1 e2fhhH1 e2fhhE1 e2fhhL1 e2fhhL1 e2fhhN1 e2fhhP1 e2fhhP1 e2fhhV1 e2fhhR1 e2fhhZ1 e2fhhJ1 e2fhhT1 e2fhhZ1 e2fhhG1 e2fhhV1 e2fhh21 e2fhhG1 e2fhhX1 e2fhh21 e2fhhT1 e2fhhX1 e2fhhZ1 e2fhhT1 e2fhh21	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot