acompound

Showing entry for Saxitoxin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0041018
Compound Name	Saxitoxin
Structure
Formula	C10H17N7O4
InchiKey	RPQXVSUAYFXFJA-HGRQIUPRSA-N
SMILES	N=C1N[C@@H]2[C@]3(N1)N(CCC3(O)O)C(=N)N[C@H]2COC(=N)O
Inchi	InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
IUPAC	[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Molecular Weight	299.13
Pubchem Id	56947150
Chembl Id	CHEMBL501134

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

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
D0E0C2	BXGT002677	Sodium channel protein PaFPC1	reviewed		-	-	-	-	-
Q15858	BXGT013610	Sodium channel protein type 9 subunit alpha	reviewed	SCN9A	Ion channel	-	-	-	-
P31226	BXGT025033	Saxiphilin	reviewed		-	-	-	0.2	-

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	BXGT008119	Sodium channel protein type 4 subunit alpha	reviewed		Scn4a	-	2.4	-	-

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
P35499	BXGT009839	Sodium channel protein type 4 subunit alpha	reviewed	Ion channel	SCN4A	IC50	'='	30	nM
P35499	BXGT009839	Sodium channel protein type 4 subunit alpha	reviewed	Ion channel	SCN4A	IC50	'='	90	nM
P15390	BXGT008119	Sodium channel protein type 4 subunit alpha	reviewed	-	Scn4a	IC50	'='	2	nM
Q15858	BXGT013610	Sodium channel protein type 9 subunit alpha	reviewed	Ion channel	SCN9A	IC50	'='	702	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01241	Eleutherococcus sessiliflorus	Eleutherococcus sessiliflorus	Medicinal Plant
BXGF03571	Ruta microcarpa	Ruta microcarpa	Medicinal Plant
BXGF03783	Taiwania cryptomerioides	Taiwania cryptomerioides	Others
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF05165	Ruta graveolens	Ruta graveolens	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}