Ligand name: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
PDB ligand accession: 3IN
DrugBank: DB02785
PubChem: 444756
ChEMBL: n/a
InChI Key: SQZXWXXIPWXBCL-CYTJBAGBSA-N
SMILES: CC1CCC(C1NC(=O)C(Cc2ccccc2)CC(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)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
2BPY	Download	Experimental	e2bpyB1 e2bpyA1	cradle loop barrel cradle loop barrel	LigPlot
2BPZ	Download	Experimental	e2bpzA1 e2bpzB1	cradle loop barrel cradle loop barrel	LigPlot