acompound

Showing entry for (R)-2-Methylbutanoate

General Compound Information
BXGC Id	BXGC0015528
Compound Name	(R)-2-Methylbutanoate
Structure
Formula	C5H10O2
InchiKey	WLAMNBDJUVNPJU-SCSAIBSYSA-N
SMILES	C[C@@H](C(=O)O)CC
Inchi	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1
IUPAC	(2R)-2-methylbutanoic acid
Molecular Weight	102.07
Pubchem Id	6950479
Chembl Id	CHEMBL1162483

Targets of Information Source

DrugBank

DB03741

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
P96965	BXGT012195	2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	unreviewed	-	cumD	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

50412188

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	BXGT017282	Solute carrier family 22 member 20	reviewed		Slc22a20	40738.03	-	-	-
reviewed	BXGT018912	Solute carrier family 22 member 6	reviewed		Slc22a6	912010.84	-	-	-

CHEMBL

CHEMBL1162483

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
Q80UJ1	BXGT017282	Solute carrier family 22 member 20	reviewed	-	Slc22a20	Ki	'='	40738	nM
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	912010	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00942	Odontites rubra	Odontites rubra	Others
BXGF01125	Schistostephium rotundifolium	Schistostephium rotundifolium	Others
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01206	Prosopis ruscifolia	Prosopis ruscifolia	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01274	Garcinia macrophylla	Garcinia macrophylla	Medicinal Plant
BXGF01381	Siphocampylus verticillatus	Siphocampylus verticillatus	Others
BXGF01410	Viburnum chingii	Viburnum chingii	Others
BXGF01576	Maytenus loeseneri	Maytenus loeseneri	Others
BXGF01689	Aconitum kamtschaticum	Aconitum kamtschaticum	Others
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01766	Maytenus serrata	Maytenus serrata	Medicinal Plant
BXGF01870	Dipteronia dyeriana	Dipteronia dyeriana	Others
BXGF01976	Podocarpus salignus	Podocarpus salignus	Medicinal Plant
BXGF01981	Psychotria bahiensis	Psychotria bahiensis	Others
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02069	Plectranthus mollis	Plectranthus mollis	Medicinal Plant
BXGF02142	Dodonaea polyandra	Dodonaea polyandra	Medicinal Plant
BXGF02192	Actinidia kolomikta	Actinidia kolomikta	Medicinal Plant
BXGF02236	Murraya kwangsiensis	Murraya kwangsiensis	Medicinal Plant
BXGF02281	Veratrum stenophyllum	Veratrum stenophyllum	Others
BXGF02299	Phalaenopsis aphrodite	Phalaenopsis aphrodite	Others
BXGF02422	Sideritis syriaca	Sideritis syriaca	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03384	Vepris pilosa	Vepris pilosa	Others
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF04087	Erysimum odoratum	Erysimum odoratum	Others
BXGF04092	Heterotheca inuloides	Heterotheca inuloides	Medicinal Plant
BXGF04098	Delphinium andersoni	Delphinium andersoni	Others
BXGF04126	Vismia jefensis	Vismia jefensis	Others
BXGF04142	Angelica tarokoensis	Angelica tarokoensis	Others
BXGF04147	Swertia delavayi	Swertia delavayi	Others
BXGF04151	Ophiorrhiza blumeana	Ophiorrhiza blumeana	Others
BXGF04165	Epimedium davidii	Epimedium davidii	Medicinal Plant
BXGF04168	Globba malaccensis	Globba malaccensis	Medicinal Plant
BXGF04175	Diphasia angolensis	Diphasia angolensis	Others
BXGF04182	Knightia excelsa	Knightia excelsa	Medicinal Plant
BXGF04197	Zanthoxylum chiriquinum	Zanthoxylum chiriquinum	Others
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04207	Solanum acaule	Solanum acaule	Others
BXGF04216	Frullania tamarisci	Frullania tamarisci	Others
BXGF04221	Alangium premnifolium	Alangium premnifolium	Others
BXGF04233	Saussurea carthamoides	Saussurea carthamoides	Others
BXGF04250	Galenia africana	Galenia africana	Medicinal Plant
BXGF04264	Micromeria pineolens	Micromeria pineolens	Others
BXGF04269	Gnidia lamprantha	Gnidia lamprantha	Medicinal Plant
BXGF04276	Ilex amara	Ilex amara	Others
BXGF04295	Leonurus glaucescens	Leonurus glaucescens	Medicinal Plant
BXGF04342	Salacia madagascariensis	Salacia madagascariensis	Human Edible Plant
BXGF04343	Maba buxifolia	Maba buxifolia	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05135	Ongokea klaineana	Ongokea klaineana	Others
BXGF05474	Gymnanthemum amygdalinum	Gymnanthemum amygdalinum	Medicinal Plant
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF05661	Aconitum vilmorinianum	Aconitum vilmorinianum	Others
BXGF05758	Boronella koniambiensis	Boronella koniambiensis	Others
BXGF05779	Canarium strictum	Canarium strictum	Medicinal Plant
BXGF05891	Peucedanum palustre	Peucedanum palustre	Medicinal Plant
BXGF05905	Coreopsis grandiflora	Coreopsis grandiflora	Garden Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06072	Physalis solanaceus	Physalis solanaceus	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}