acompound

Showing entry for L-Stachydrine

General Compound Information
BXGC Id	BXGC0000211
Compound Name	L-Stachydrine
Structure
Formula	C7H13NO2
InchiKey	CMUNUTVVOOHQPW-LURJTMIESA-N
SMILES	C[N+]1(C)CCC[C@H]1C([O-])=O
Inchi	InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
IUPAC	(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
Molecular Weight	143.18
Pubchem Id	115244
Chembl Id	CHEMBL1456892

Targets of Information Source

DrugBank

DB04284

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
P0AFM2	BXGT007353	Glycine betaine/proline betaine-binding periplasmic protein	reviewed	-	proX	experimental	-

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

CHEMBL1456892

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	10000	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	3162	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	3162	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	39810	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00039	Capers	Capparis spinosa	Herbs and Spices
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00264	Alfalfa	Medicago sativa	Herbs and Spices
BXGF00811	Citrus		Fruits
BXGF00819	Pulses		Pulses
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00934	Aristolochia maxima	Aristolochia maxima	Medicinal Plant
BXGF01182	Betula mandshurica	Betula mandshurica	Medicinal Plant
BXGF01247	Achillea collina	Achillea collina	Others
BXGF01415	Mikania obtusata	Mikania obtusata	Others
BXGF01557	Jasminum officinale	Jasminum officinale	Medicinal Plant
BXGF01715	Bergenia purpurascens	Bergenia purpurascens	Medicinal Plant
BXGF01961	Polygala myrtifolia	Polygala myrtifolia	Others
BXGF02090	Ligularia platyglossa	Ligularia platyglossa	Medicinal Plant
BXGF02128	Rhodiola krylovii	Rhodiola krylovii	Others
BXGF02224	Rapanea myricoides	Rapanea myricoides	Others
BXGF02247	Crataegus sinaica	Crataegus sinaica	Human Edible Plant
BXGF02298	Malus asiatica	Malus asiatica	Medicinal Plant
BXGF02396	Artemisia vachanica	Artemisia vachanica	Others
BXGF02411	Lasiocephalus ovatus	Lasiocephalus ovatus	Others
BXGF02427	Montrouziera sphaeroidea	Montrouziera sphaeroidea	Others
BXGF02443	Cotoneaster orbicularis	Cotoneaster orbicularis	Others
BXGF02450	Bischofia trifoliata	Bischofia trifoliata	Others
BXGF02517	Pimpinella saxifraga	Pimpinella saxifraga	Medicinal Plant
BXGF02531	Caragana tibetica	Caragana tibetica	Medicinal Plant
BXGF02538	Macrotyloma axillare	Macrotyloma axillare	Others
BXGF02555	Trigonostemon reidioides	Trigonostemon reidioides	Medicinal Plant
BXGF02581	Euphorbia ferganensis	Euphorbia ferganensis	Others
BXGF02594	Arachniodes dimorphophylla	Arachniodes dimorphophylla	Others
BXGF02608	Oreosolen wattii	Oreosolen wattii	Others
BXGF02742	Discaria crenata	Discaria crenata	Others
BXGF03472	Tropaeolum speciosum	Tropaeolum speciosum	Others
BXGF03671	Leonurus japonicus	Leonurus japonicus	Medicinal Plant
BXGF04120	Solanum bahamense	Solanum bahamense	Others
BXGF04247	Tinospora smilacina	Tinospora smilacina	Medicinal Plant
BXGF04408	Sarcomelicope argyrophylla	Sarcomelicope argyrophylla	Others
BXGF04698	Isodon rubescens	Isodon rubescens	Others
BXGF05751	Vatica diospyroides	Vatica diospyroides	Others
BXGF06041	Pithecellobium clypearia	Pithecellobium clypearia	Medicinal Plant
BXGF06221	Annona rensoniana	Annona rensoniana	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}