Ligand name: ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
PDB ligand accession: GTW
DrugBank: n/a
PubChem: 137349457
ChEMBL: n/a
InChI Key: ZGJWOTGESBPCTA-PKTNWEFCSA-N
SMILES: Cc1ncc(s1)C(=O)NC(CC(C)C)C(=O)NC(CC2CCCCC2)C(=O)NC(CCS(=O)(=O)C)Cc3ccc(cc3)CN
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 P25451

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HUU	Download	Experimental	e6huuH1 e6huuI1 e6huuZ1 e6huuV1 e6huuW1 e6huuL1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot
6HW7	Download	Experimental	e6hw7H1 e6hw7I1 e6hw7Z1 e6hw7V1 e6hw7W1 e6hw7L1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot
6HVU	Download	Experimental	e6hvuH1 e6hvuI1 e6hvuZ1 e6hvuV1 e6hvuW1 e6hvuL1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot