acompound

Showing entry for Fumaric acid

General Compound Information
BXGC Id	BXGC0002436
Compound Name	Fumaric acid
Structure
Formula	C4H4O4
InchiKey	VZCYOOQTPOCHFL-UPHRSURJSA-N
SMILES	OC(=O)\C=C/C(O)=O
Inchi	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
IUPAC	(2E)-but-2-enedioic acid
Molecular Weight	116.07
Pubchem Id	444266
Chembl Id	CHEMBL539648

Targets of Information Source

DrugBank

DB04299

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
P17174	BXGT008289	Aspartate aminotransferase, cytoplasmic	reviewed	-	GOT1	experimental	-
P00509	BXGT005562	Aspartate aminotransferase	reviewed	-	aspC	experimental	-
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	experimental	-
Q56232	BXGT015089	Aspartate aminotransferase	reviewed	-	aspC	experimental	-
P95468	BXGT012154	Aromatic-amino-acid aminotransferase	reviewed	-	tyrB	experimental	-

PDB

MAE

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
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	440000	-
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	-	-
P28593	BXGT009278	Trypanothione reductase	reviewed	TPR	-	-	-	-	-
P95468	BXGT012154	Aromatic-amino-acid aminotransferase	reviewed	tyrB	-	-	-	-	-
Q56232	BXGT015089	Aspartate aminotransferase	reviewed	aspC	-	-	-	-	-
Q9BHT8	BXGT020095	Alkaline phosphatase	unreviewed	sap	-	-	-	-	-
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	3400000	-
P23542	BXGT008882	Aspartate aminotransferase, cytoplasmic	reviewed	AAT2	-	-	-	-	-
P00504	BXGT005559	Aspartate aminotransferase, cytoplasmic	reviewed	GOT1	-	-	-	-	-
Q304P7	BXGT014298	Aminotransferase	unreviewed	aspC	-	-	-	-	-
P0A786	BXGT007099	Aspartate carbamoyltransferase catalytic subunit	reviewed	pyrB	-	-	-	-	-
P21164	BXGT008626	Formate--tetrahydrofolate ligase	reviewed	fhs	-	-	-	-	-
Q5QTY1	BXGT015639	Aminopeptidase N family protein, contains PDZ domain	unreviewed	IL1258	-	-	-	-	-
F8G0M3	BXGT003318	Maleate isomerase	unreviewed	maiA	-	-	-	-	-
D0X4R4	BXGT002773	D-galactonate dehydratase family member VME_00770	reviewed	VME_00770	-	-	-	-	-
F8G0M0	BXGT003316	Hydrolase, isochorismatase family	unreviewed	PPS_4057	-	-	-	-	-
O57767	BXGT004761	Quinolinate synthase A	reviewed	nadA	-	-	-	-	-

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

CHEMBL539648

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
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	31	nM
P11308	BXGT007684	Transcriptional regulator ERG	reviewed	Transcription factor	ERG	Potency	-	5623	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1122	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1636	nM
Q16798	BXGT013672	NADP-dependent malic enzyme, mitochondrial	reviewed	Enzyme	ME3	Activity	-	-	-
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	7	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	89125	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	66824	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00009	Chives	Allium schoenoprasum	Herbs and Spices
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00023	Star fruit	Averrhoa carambola	Fruits
BXGF00032	Brussel sprouts	Brassica oleracea var. gemmifera	Vegetables
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00034	Broccoli	Brassica oleracea var. italica	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00047	Chickpea	Cicer arietinum	Pulses
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00081	Fig	Ficus carica	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00085	Soy bean	Glycine max	Soy
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00154	Garden rhubarb	Rheum rhabarbarum	Vegetables
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00410	Roselle	Hibiscus sabdariffa	Herbs and Spices
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00817	Fishes		Aquatic foods
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02062	Glochidion zeylanicum	Glochidion zeylanicum	Others
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	Medicinal Plant
BXGF04595	Abelmoschus manihot	Abelmoschus manihot	Medicinal Plant
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF05203	Chlamydomonas reinhardtii	Chlamydomonas reinhardtii	Others
BXGF05421	Tussilago farfara	Tussilago farfara	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}