acompound

Showing entry for Erysodine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001488
Compound Name	Erysodine
Structure
Formula	C18H21NO3
InchiKey	BDIVMECULLJBMU-KSSFIOAISA-N
SMILES	CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C(OC)C(O)=C1
Inchi	InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1
IUPAC	(1S,16R)-4,16-dimethoxy-10-azatetracyclo[8.7.0.01,13.02,?]heptadeca-2(7),3,5,12,14-pentaen-5-ol
Molecular Weight	299.36
Pubchem Id	169017
Chembl Id	CHEMBL446533

Targets of Information Source

DrugBank

n.a

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

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

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
reviewed	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed		CHRNA7	7500	-	-	-

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
Q05941	BXGT012847	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	Chrna7	Ki	'='	5	nM
P20420	BXGT008572	Neuronal acetylcholine receptor subunit alpha-5	reviewed	-	Chrna5	Ki	'='	5	nM
P43143	BXGT010361	Neuronal acetylcholine receptor subunit alpha-6	reviewed	-	Chrna6	Ki	'='	5	nM
P12391	BXGT007811	Neuronal acetylcholine receptor subunit beta-3	reviewed	-	Chrnb3	Ki	'='	5	nM
Q9JLB5	BXGT020832	Neuronal acetylcholine receptor subunit alpha-10	reviewed	-	Chrna10	Ki	'='	5	nM
P43144	BXGT010362	Neuronal acetylcholine receptor subunit alpha-9	reviewed	-	Chrna9	Ki	'='	5	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Ki	'='	5	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	5	nM
P12389	BXGT007809	Neuronal acetylcholine receptor subunit alpha-2	reviewed	-	Chrna2	Ki	'='	5	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	5	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	Ki	'='	5	nM
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	Ki	'='	50	nM
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	Ki	'='	50	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	Ki	'='	7500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00824	Green vegetables		Vegetables

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}