Ligand name: (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
PDB ligand accession: H8V
DrugBank: n/a
PubChem: 155923701
ChEMBL: n/a
InChI Key: IHTCRVFPLWRGCT-KEKPKEOLSA-N
SMILES: CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)C(C)CCN3CCOCC3)C4CCCCC4
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 D9IEF7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6XOM	Download	Experimental	e6xomA1 e6xomA2	EF-hand EF-hand	LigPlot