acompound

Showing entry for Sid14730841

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043858
Compound Name	Sid14730841
Structure
Formula	C13H15NO2S
InchiKey	GRKFQNCLGKIJKV-UHFFFAOYSA-N
SMILES	S=C(c1ccc2c(c1)OCO2)N1CCCCC1
Inchi	InChI=1S/C13H15NO2S/c17-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8H,1-3,6-7,9H2
IUPAC	1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione
Molecular Weight	249.08
Pubchem Id	347809
Chembl Id	CHEMBL1492484

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	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	-	15390	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	>100000	-	-

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
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	IC50	'='	15390	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	15848	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	1778	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		EC50	'>'	112219	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	44668	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	35481	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	12589	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'>'	100000	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	31622	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices

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}