Ligand name: N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-L-norleucinamide
PDB ligand accession: A70
DrugBank: n/a
PubChem: 5496932
ChEMBL: n/a
InChI Key: NGCGSAFHWCZMPV-AKHKZFQHSA-N
SMILES: CCCCC(C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCCCC)O)N2CCN(C(C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P28871

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1ZAP	Download	Experimental	e1zapA2 e1zapA3	cradle loop barrel cradle loop barrel	LigPlot
1EAG	Download	Experimental	e1eagA2 e1eagA3	cradle loop barrel cradle loop barrel	LigPlot