Ligand name: 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE
PDB ligand accession: 1A2
DrugBank: DB06879
InChI Key: QCFIRACCCDFXIP-UHFFFAOYSA-N
SMILES: CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein P35228

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P35228	Download	Predicted	P35228_F1_nD1	Nitric oxide (NO) synthase oxygenase domain
1NSI		Predicted	e1nsiC1 e1nsiB1 e1nsiD1 e1nsiA1
2NSI		Predicted	e2nsiA1 e2nsiD1 e2nsiC1 e2nsiB1
3E7G		Predicted	e3e7gB1 e3e7gD1 e3e7gA1 e3e7gC1
3EJ8		Predicted	e3ej8A1 e3ej8B1 e3ej8C1 e3ej8D1
3HR4		Predicted	e3hr4A1 e3hr4E2 e3hr4C2 e3hr4G2
4CX7		Predicted	e4cx7A1 e4cx7B1 e4cx7C1 e4cx7D1
4NOS		Predicted	e4nosB1 e4nosA1 e4nosC1 e4nosD1