acompound

Showing entry for Crotonic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039819
Compound Name	Crotonic Acid
Structure
Formula	C4H6O2
InchiKey	LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES	C/C=C/C(=O)O
Inchi	InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
IUPAC	(E)-but-2-enoic acid
Molecular Weight	86.04
Pubchem Id	637090
Chembl Id	CHEMBL1213528

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
P02692	BXGT005921	Fatty acid-binding protein, liver	reviewed	Fabp1	-	-	-	-	-
Q7NDN8	BXGT017055	Proton-gated ion channel	reviewed	glvI	-	-	-	-	-

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	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	598000	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	357000	-	-
reviewed	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	-	>10000000	-	-
reviewed	BXGT019924	D-aspartate oxidase	reviewed		DDO	-	>10000000	-	-

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
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	IC50	'='	598000	nM
Q99489	BXGT019924	D-aspartate oxidase	reviewed	-	DDO	IC50	'>'	10000000	nM
Q8TDS4	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed	-	HCAR2	Activity	'='	6	%
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Inhibition	-	-	-
Q9GZT4	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	IC50	'>'	10000000	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	IC50	'='	357000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01936	Brucea javanica	Brucea javanica	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04915	Croton tiglium	Croton tiglium	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}