acompound

Showing entry for Methylenebutanedioic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006244
Compound Name	Methylenebutanedioic acid
Structure
Formula	C5H6O4
InchiKey	LVHBHZANLOWSRM-UHFFFAOYSA-N
SMILES	OC(=O)CC(=C)C(O)=O
Inchi	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
IUPAC	2-methylidenebutanedioic acid
Molecular Weight	130.1
Pubchem Id	811
Chembl Id	CHEMBL359159

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

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
O57767	BXGT004761	Quinolinate synthase A	reviewed	nadA	-	-	-	-	-

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	BXGT008250	ATP-citrate synthase	reviewed		Acly	>1000000	-	-	-

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
Q9P8Q7	BXGT021317	Isocitrate lyase	reviewed	-	ICL1	IC50	'='	5	ug.mL-1
P16638	BXGT008250	ATP-citrate synthase	reviewed	-	Acly	Ki	'>'	1000000	nM
P16638	BXGT008250	ATP-citrate synthase	reviewed	-	Acly	Ki	-	-	-
P9WKK6	BXGT026097	Isocitrate lyase 1	reviewed	-	icl1	IC50	'='	29400	nM
Q00987	BXGT012559	E3 ubiquitin-protein ligase Mdm2	reviewed	Nucleic acid binding	MDM2	Activity	-	-	-
P9WKK6	BXGT026097	Isocitrate lyase 1	reviewed	-	icl1	Inhibition	-	-	-
Q9P8Q7	BXGT021317	Isocitrate lyase	reviewed	-	ICL1	IC50	'='	4	ug.mL-1
P9WKK6	BXGT026097	Isocitrate lyase 1	reviewed	-	icl1	Tm	'='	53	degrees C

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00819	Pulses		Pulses

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}