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
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 P29475

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P29475	Download	Predicted	P29475_F1_nD3 P29475_F1_nD2 P29475_F1_nD5 P29475_F1_nD6 P29475_F1_nD4	Flavodoxin-like Nitric oxide (NO) synthase oxygenase domain NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel
4D1N		Predicted	e4d1nA1 e4d1nB1 e4d1nC1 e4d1nD1
4UCH		Predicted	e4uchA1 e4uchB1
4UH5		Predicted	e4uh5A1 e4uh5B1
4UH6		Predicted	e4uh6A1 e4uh6B1
4V3U		Predicted	e4v3uA1 e4v3uB1 e4v3uC1 e4v3uD1
5ADF		Predicted	e5adfA1 e5adfB1
5ADG		Predicted	e5adgA1 e5adgB1
5ADI		Predicted	e5adiA1 e5adiB1
5FVU		Predicted	e5fvuA1 e5fvuB1
5FVV		Predicted	e5fvvA1 e5fvvB1
5FVW		Predicted	e5fvwA1 e5fvwB1
5FVX		Predicted	e5fvxA1 e5fvxB1
5UO1		Predicted	e5uo1A1 e5uo1B1
5UO2		Predicted	e5uo2A1 e5uo2B1
5UO3		Predicted	e5uo3A1 e5uo3B1
5UO4		Predicted	e5uo4A1 e5uo4B1
5UO5		Predicted	e5uo5A1 e5uo5B1
5UO6		Predicted	e5uo6A1 e5uo6B1
5UO7		Predicted	e5uo7A1 e5uo7B1
5VUV		Predicted	e5vuvA1 e5vuvB1
5VUW		Predicted	e5vuwA1 e5vuwB1
5VUX		Predicted	e5vuxA1 e5vuxB1
5VUY		Predicted	e5vuyA1 e5vuyB1
5VUZ		Predicted	e5vuzA1 e5vuzB1
5VV0		Predicted	e5vv0A1 e5vv0B1
5VV1		Predicted	e5vv1A1 e5vv1B1
5VV2		Predicted	e5vv2A1 e5vv2B1
5VV3		Predicted	e5vv3A1 e5vv3B1
5VV4		Predicted	e5vv4A1 e5vv4B1
5VV5		Predicted	e5vv5A1 e5vv5B1
6AUY		Predicted	e6auyA1 e6auyB1
6AUZ		Predicted	e6auzA1 e6auzB1
6AV0		Predicted	e6av0A1 e6av0B1
6AV1		Predicted	e6av1A1 e6av1B1
6AV2		Predicted	e6av2A1 e6av2B1
6AV3		Predicted	e6av3A1 e6av3B1
6AV4		Predicted	e6av4A1 e6av4B1
6AV5		Predicted	e6av5A1 e6av5B1
6CIC		Predicted	e6cicA1 e6cicB1
6CID		Predicted	e6cidA1 e6cidB1
6NG1		Predicted	e6ng1A1 e6ng1B1
6NG2		Predicted	e6ng2A1 e6ng2B1
6NG4		Predicted	e6ng4A1 e6ng4B1
6NG5		Predicted	e6ng5A1 e6ng5B1
6NG6		Predicted	e6ng6A1 e6ng6B1
6NG7		Predicted	e6ng7A1 e6ng7B1
6NG8		Predicted	e6ng8A1 e6ng8B1
6NGA		Predicted	e6ngaA1 e6ngaB1
6NGB		Predicted	e6ngbA1 e6ngbB1
6NGC		Predicted	e6ngcA1 e6ngcB1
6NGD		Predicted	e6ngdA1 e6ngdB1
6NGE		Predicted	e6ngeA1 e6ngeB1
6NGF		Predicted	e6ngfA1 e6ngfB1
6NGH		Predicted	e6nghA1 e6nghB1
6NGI		Predicted	e6ngiA1 e6ngiB1
6NHB		Predicted	e6nhbA1 e6nhbB1
6NHC		Predicted	e6nhcA1 e6nhcB1