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

ClassyFire chemical classification:

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

List of proteins that are targets for JI3

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P29476_JI3	P29476	n/a	Ki(nM) = 85.0 IC50(nM) = 740.0
2	P29475_JI3	P29475	n/a	Ki(nM) = 85.0
3	P29473_JI3	P29473	n/a	Ki(nM) = 85000.0
4	P29474_JI3	P29474	n/a	Ki(nM) = 85160.0