Ligand name: (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
PDB ligand accession: GT8
DrugBank: n/a
PubChem: 137349456
ChEMBL: n/a
InChI Key: NHSACZPZCKLMNP-WDDJKNHOSA-N
SMILES: CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CCC2CCCCC2)C(C(C)(C)O)O)NC(=O)CN3CCOCC3
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 Q99436

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HUV	Download	Experimental	e6huvH1 e6huvI1 e6huvV1 e6huvW1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot