Ligand name: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
PDB ligand accession: MK1
DrugBank: DB00224
PubChem: 5362440
ChEMBL: CHEMBL115
InChI Key: CBVCZFGXHXORBI-PXQQMZJSSA-N
SMILES: CC(C)(C)NC(=O)C1CN(CCN1CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4CC3O)O)Cc5cccnc5
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 P04587

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2AVS	Download	Experimental	e2avsA1 e2avsB1	cradle loop barrel cradle loop barrel	LigPlot
2AVO	Download	Experimental	e2avoA1 e2avoB1	cradle loop barrel cradle loop barrel	LigPlot
2BPX	Download	Experimental	e2bpxA1 e2bpxB1	cradle loop barrel cradle loop barrel	LigPlot
2AVV	Download	Experimental	e2avvA1 e2avvB1 e2avvD1 e2avvD1 e2avvE1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot