Ligand name: N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
PDB ligand accession: MLG
DrugBank: DB04017
PubChem: 4380
ChEMBL: CHEMBL8706
InChI Key: BTFHLQRNAMSNLC-UHFFFAOYSA-N
SMILES: CN(CCCOc1ccc(cc1Cl)Cl)CC#C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Halobenzenes

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P21397

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BXS	Download	Experimental	e2bxsA3 e2bxsA4 e2bxsB3 e2bxsB4	Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like	LigPlot
2BXR	Download	Experimental	e2bxrA1 e2bxrA2 e2bxrB1 e2bxrB2	Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot