Ligand name: 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE
PDB ligand accession: UI1
DrugBank: DB03082
PubChem: 448605
ChEMBL: CHEMBL104166
InChI Key: CSWQJKHBMACTGB-UHFFFAOYSA-N
SMILES: c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalenecarboxylic acids and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P00749

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1SQA	Download	Experimental	e1sqaA1	cradle loop barrel	LigPlot