acompound

Showing entry for Betaine

General Compound Information
BXGC Id	BXGC0044624
Compound Name	Betaine
Structure
Formula	C5H11NO2
InchiKey	KWIUHFFTVRNATP-UHFFFAOYSA-O
SMILES	OC(=O)C[N+](C)(C)C
Inchi	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
IUPAC	carboxymethyl(trimethyl)azanium
Molecular Weight	118.09
Pubchem Id	248
Chembl Id	CHEMBL95889

Targets of Information Source

DrugBank

DB04455

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; investigational	-
P74645	BXGT011739	Circadian clock protein KaiB	reviewed	-	kaiB	experimental; investigational	-

PDB

BET

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
P0AFM2	BXGT007353	Glycine betaine/proline betaine-binding periplasmic protein	reviewed	proX	-	-	-	-	-
P07797	BXGT006673	Ferritin, lower subunit	reviewed		-	-	-	-	-
O29280	BXGT004333	Osmoprotection protein (ProX)	unreviewed	AF_0982	-	-	-	-	-
P74645	BXGT011739	Circadian clock protein KaiB	reviewed	kaiB	-	-	-	-	-
P46922	BXGT010550	Glycine betaine-binding protein OpuAC	reviewed	opuAC	-	-	-	-	-
P54582	BXGT011057	Glycine betaine transporter BetP	reviewed	betP	-	-	-	-	-
Q185U9	BXGT013718	Putative GCN5-related N-acetyltransferase-like protein	unreviewed	CD630_21620	-	-	-	-	-
Q7DAU8	BXGT016961	Betaine ABC transporter permease and substrate binding protein	unreviewed	busAB	-	-	-	-	-
O32243	BXGT004434	Glycine betaine/carnitine/choline-binding protein OpuCC	reviewed	opuCC	-	-	-	-	-
P00760	BXGT005644	Cationic trypsin	reviewed		-	-	-	-	-
P00800	BXGT005661	Thermolysin	reviewed	npr	-	-	-	-	-
O51169	BXGT004676	Glycine betaine, L-proline ABC transporter, glycine/betaine/L-proline-binding protein	unreviewed	BB_0144	-	-	-	-	-
P11142	BXGT007658	Heat shock cognate 71 kDa protein	reviewed	HSPA8	-	-	-	-	-
Q7X2H8	BXGT017214	Choline oxidase	reviewed	codA	-	-	-	-	-
Q1Q0T2	BXGT013833	Hydrazine synthase subunit alpha	reviewed	kuste2861	-	-	-	-	-
Q1Q0T4	BXGT013835	Hydrazine synthase subunit beta	reviewed	kuste2859	-	-	-	-	-
Q1Q0T3	BXGT013834	Hydrazine synthase subunit gamma	reviewed	kuste2860	-	-	-	-	-
F6KV61	BXGT003296	Class I SAM-dependent methyltransferase	unreviewed	gsmt	-	-	-	-	-
Q45462	BXGT014616	Choline-binding protein	reviewed	opuBC	-	-	-	-	-
P06873	BXGT006519	Proteinase K	reviewed	PROK	-	-	-	-	-

Binding DB

50357226

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	BXGT017247	Proton-coupled amino acid transporter 1	reviewed	Transporter	SLC36A1	1900000	-	-	-

CHEMBL

CHEMBL95889

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00787	Yellow pond-lily	Nuphar lutea	Herbs and Spices
BXGF01153	Aniba duckei	Aniba duckei	Medicinal Plant
BXGF01199	Shuteria involucrata var. vestita	Shuteria involucrata var. vestita	Others
BXGF01268	Nama johnstonii	Nama johnstonii	Others
BXGF01275	Euphorbia kamerunica	Euphorbia kamerunica	Medicinal Plant
BXGF01290	Dictamnus gymnostylis	Dictamnus gymnostylis	Others
BXGF01573	Eria foetida	Eria foetida	Others
BXGF01816	Agave aurea	Agave aurea	Others
BXGF01957	Isodon gesneroides	Isodon gesneroides	Medicinal Plant
BXGF01988	Encephalartos altensteinii	Encephalartos altensteinii	Human Edible Plant
BXGF02172	Cupressus lawsoniana	Cupressus lawsoniana	Others
BXGF02264	Crinum erubescens	Crinum erubescens	Others
BXGF02369	Sophora davidii	Sophora davidii	Medicinal Plant
BXGF02374	Pentzia incana	Pentzia incana	Others
BXGF02429	Kobresia nepalensis	Kobresia nepalensis	Medicinal Plant
BXGF02486	Pronephrium triphyllum	Pronephrium triphyllum	Others
BXGF02622	Excoecaria oppositifolia	Excoecaria oppositifolia	Human Edible Plant
BXGF02722	Grindelia acutifolia	Grindelia acutifolia	Others
BXGF02809	Prangos pabularia	Prangos pabularia	Medicinal Plant
BXGF02893	Trifolium subterraneum	Trifolium subterraneum	Medicinal Plant
BXGF02923	Euphorbia marginata	Euphorbia marginata	Medicinal Plant
BXGF02972	Emilia sonchifolia	Emilia sonchifolia	Medicinal Plant
BXGF02990	Crataegus davisii	Crataegus davisii	Others
BXGF03002	Gardenia collinsae	Gardenia collinsae	Others
BXGF03041	Callistemon viminalis	Callistemon viminalis	Others
BXGF03061	Pausinystalia mayumbensis	Pausinystalia mayumbensis	Others
BXGF03074	Ajuga spectabilis	Ajuga spectabilis	Others
BXGF03098	Cissus pallidiflorus	Cissus pallidiflorus	Others
BXGF03112	Ursinia abrotanifolia	Ursinia abrotanifolia	Others
BXGF03123	Selliguea feei	Selliguea feei	Others
BXGF03133	Jungermannia hyalina	Jungermannia hyalina	Others
BXGF03155	Melampodium heterophyllum	Melampodium heterophyllum	Others
BXGF03165	Simaba multiflora	Simaba multiflora	Others
BXGF03181	Baphia nitida	Baphia nitida	Medicinal Plant
BXGF03191	Litsea pulchella	Litsea pulchella	Others
BXGF03214	Astragalus tragacantha	Astragalus tragacantha	Others
BXGF03228	Teucrium oxylepis	Teucrium oxylepis	Others
BXGF03248	Ligularia muliensis	Ligularia muliensis	Others
BXGF03261	Alstroemeria revoluta	Alstroemeria revoluta	Medicinal Plant
BXGF03278	Marrubium alysson	Marrubium alysson	Others
BXGF03295	Achillea macrophylla	Achillea macrophylla	Others
BXGF03355	Althaea officinalis	Althaea officinalis	Medicinal Plant
BXGF03481	Eupatorium havanense	Eupatorium havanense	Others
BXGF04318	Litsea aciculata	Litsea aciculata	Others
BXGF04683	Gymnosporia senegalensis	Gymnosporia senegalensis	Medicinal Plant
BXGF04751	Virola sebifera	Virola sebifera	Human Edible Plant
BXGF05150	Stevia chamaedrys	Stevia chamaedrys	Others
BXGF05538	Conyza bonariensis	Conyza bonariensis	Medicinal Plant
BXGF06073	Trillium camschatcense	Trillium camschatcense	Others

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}