Ligand name: methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
PDB ligand accession: KMK
DrugBank: n/a
PubChem: 146675128
ChEMBL: CHEMBL5171609
InChI Key: NKRKEQBTIYLTPA-UHFFFAOYSA-N
SMILES: COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q01782

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RXC	Download	Experimental	e6rxcA1 e6rxcD1 e6rxcC1 e6rxcB1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot