Ligand name: N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine
PDB ligand accession: JI7
DrugBank: DB08019
PubChem: 25021186
ChEMBL: CHEMBL526688
InChI Key: VWCMAGONQJHIJZ-LPHOPBHVSA-N
SMILES: Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3cccc(c3)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 P29476

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3B3P	Download	Experimental	e3b3pA1 e3b3pB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot