Ligand name: N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane
PDB ligand accession: NTU
DrugBank: DB02979
InChI Key: IOKDMHHZKWLWKO-UHFFFAOYSA-N
SMILES: CSC(=NCCCCCCCCCCCCCCN=C(N)SC)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Isothioureas
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P29474

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P29474	Download	Predicted	P29474_F1_nD4 P29474_F1_nD5 P29474_F1_nD1 P29474_F1_nD2 P29474_F1_nD3	NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain Nitric oxide (NO) synthase oxygenase domain Flavodoxin-like cradle loop barrel
1M9J		Predicted	e1m9jB1 e1m9jA1
1M9K		Predicted	e1m9kA1 e1m9kB1
1M9M		Predicted	e1m9mB1 e1m9mA1
1M9Q		Predicted	e1m9qA1 e1m9qB1
1M9R		Predicted	e1m9rB1 e1m9rA1
3EAH		Predicted	e3eahA1 e3eahB1
3NOS		Predicted	e3nosB1 e3nosA1
4D1O		Predicted	e4d1oA1 e4d1oB1
4D1P		Predicted	e4d1pA1 e4d1pB1
5UO8		Predicted	e5uo8A1 e5uo8C1 e5uo8B1 e5uo8D1
5UO9		Predicted	e5uo9A1 e5uo9C1 e5uo9B1 e5uo9D1
5UOA		Predicted	e5uoaA1 e5uoaB1
5UOB		Predicted	e5uobA1 e5uobC1 e5uobB1 e5uobD1
5UOC		Predicted	e5uocA1 e5uocC1 e5uocB1 e5uocD1
5VVB		Predicted	e5vvbA1 e5vvbB1 e5vvbC1 e5vvbD1
5VVC		Predicted	e5vvcA1 e5vvcC1 e5vvcB1 e5vvcD1
5VVD		Predicted	e5vvdA1 e5vvdC1 e5vvdB1 e5vvdD1
6AV6		Predicted	e6av6D1 e6av6A1 e6av6B1 e6av6C1
6AV7		Predicted	e6av7B1 e6av7D1 e6av7A1 e6av7C1
6CIE		Predicted	e6cieB1 e6cieA1 e6cieC1 e6cieD1
6CIF		Predicted	e6cifA1 e6cifC1 e6cifB1 e6cifD1
6NH1		Predicted	e6nh1B1 e6nh1C1 e6nh1D1 e6nh1A1
6NH2		Predicted	e6nh2B1 e6nh2D1 e6nh2A1 e6nh2C1
6NH3		Predicted	e6nh3B1 e6nh3D1 e6nh3A1 e6nh3C1
6NH4		Predicted	e6nh4B1 e6nh4D1 e6nh4A1 e6nh4C1
6NH5		Predicted	e6nh5B1 e6nh5C1 e6nh5A1 e6nh5D1
6NH6		Predicted	e6nh6B1 e6nh6D1 e6nh6A1 e6nh6C1
6NH7		Predicted	e6nh7B1 e6nh7A1
6NH8		Predicted	e6nh8B1 e6nh8D1 e6nh8A1 e6nh8C1
6NHF		Predicted	e6nhfB1 e6nhfC1 e6nhfA1 e6nhfD1