acompound

Showing entry for Isosorbide Mononitrate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014031
Compound Name	Isosorbide Mononitrate
Structure
Formula	C6H9NO6
InchiKey	YWXYYJSYQOXTPL-SLPGGIOYSA-N
SMILES	O=N(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
Inchi	InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
IUPAC	[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular Weight	191.04
Pubchem Id	27661
Chembl Id	CHEMBL1311

Targets of Information Source

DrugBank

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
P33402	BXGT009722	Guanylate cyclase soluble subunit alpha-2	reviewed	-	GUCY1A2	approved	activator

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	-	-	-
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Activity	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	-	-	-
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}