Ligand name: N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
PDB ligand accession: 8B1
DrugBank: n/a
PubChem: 131750123
ChEMBL: CHEMBL4517307
InChI Key: CNJKDQGPBAWNRY-IZZNHLLZSA-N
SMILES: CCC(=O)NC(Cc1nc2ccc(cc2s1)C(C)C)C(=O)NC(CNC(=O)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 Q96GG9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5UFI	Download	Experimental	e5ufiA1 e5ufiA2 e5ufiC1 e5ufiC2 e5ufiB1 e5ufiB2 e5ufiD1 e5ufiD2	EF-hand EF-hand EF-hand EF-hand EF-hand EF-hand EF-hand EF-hand	LigPlot