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

ClassyFire chemical classification:

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

List of proteins that are targets for 3BI

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q04609_3BI	Q04609	n/a