acompound

Showing entry for 4-(Methylthio)-2-oxobutanoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005482
Compound Name	4-(Methylthio)-2-oxobutanoic acid
Structure
Formula	C5H8O3S
InchiKey	SXFSQZDSUWACKX-UHFFFAOYSA-N
SMILES	CSCCC(=O)C(O)=O
Inchi	InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
IUPAC	4-(methylsulfanyl)-2-oxobutanoic acid
Molecular Weight	148.18
Pubchem Id	473
Chembl Id	CHEMBL1233860

Targets of Information Source

DrugBank

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
Q75WK2	BXGT016844	Aminotransferase	unreviewed	-	-	experimental	-

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
Q75WK2	BXGT016844	Aminotransferase	unreviewed		-	-	-	-	-
Q13363	BXGT013344	C-terminal-binding protein 1	reviewed	CTBP1	Transcription factor	-	-	-	-
P56545	BXGT011178	C-terminal-binding protein 2	reviewed	CTBP2	Transcription factor	-	-	-	-
Q99JT9	BXGT019987	1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase	reviewed	Adi1	-	-	-	-	-
C5J4P1	BXGT023918	2-isopropylmalate synthase, A genome specific 1	unreviewed	gsl-elong-A1	-	-	-	-	-

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	BXGT011178	C-terminal-binding protein 2	reviewed	Transcription factor	CTBP2	-	-	2960000	-
reviewed	BXGT013344	C-terminal-binding protein 1	reviewed	Transcription factor	CTBP1	-	-	1260000	-
reviewed	BXGT011178	C-terminal-binding protein 2	reviewed	Transcription factor	CTBP2	-	300000	-	-

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
P56545	BXGT011178	C-terminal-binding protein 2	reviewed	Transcription factor	CTBP2	IC50	'='	300000	nM
P56545	BXGT011178	C-terminal-binding protein 2	reviewed	Transcription factor	CTBP2	FC	'<='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00815	Milk and milk products		Milk and milk products

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}