Ligand name: (2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
PDB ligand accession: 3BI
DrugBank: n/a
PubChem: 23644585
ChEMBL: n/a
InChI Key: BHCAHIKEPKIXJL-RHSMWYFYSA-N
SMILES: CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q04609

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BI1	Download	Experimental	e3bi1A2 e3bi1A3 e3bi1A1	Phosphorylase/hydrolase-like The "swivelling" beta/beta/alpha domains N-cbl like	LigPlot