Ligand name: N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
PDB ligand accession: JI3
DrugBank: DB08018
PubChem: 24798097
ChEMBL: CHEMBL474637
InChI Key: JDRSQGJWTVRNGM-QFBILLFUSA-N
SMILES: Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3ccc(cc3)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P29473

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DQS	Download	Experimental	e3dqsA1 e3dqsB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot