Ligand name: 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE
PDB ligand accession: 1IN
DrugBank: n/a
PubChem: 449311
ChEMBL: n/a
InChI Key: ITUWYDLENJLLBB-FJPQDTJVSA-N
SMILES: CC1CCC(C1NC(=O)C(Cc2ccccc2)CC(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)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 P04587

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BPW	Download	Experimental	e2bpwB1 e2bpwA1	cradle loop barrel cradle loop barrel	LigPlot
2BPV	Download	Experimental	e2bpvA1 e2bpvB1	cradle loop barrel cradle loop barrel	LigPlot