acompound

Showing entry for (r)-mandelic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027720
Compound Name	(r)-mandelic acid
Structure
Formula	C8H8O3
InchiKey	IWYDHOAUDWTVEP-SSDOTTSWSA-N
SMILES	O[C@H](c1ccccc1)C(=O)O
Inchi	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
IUPAC	(2R)-2-hydroxy-2-phenylacetic acid
Molecular Weight	152.05
Pubchem Id	11914
Chembl Id	CHEMBL292411

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
P20906	BXGT008613	Benzoylformate decarboxylase	reviewed	-	mdlC	experimental	-
P11444	BXGT007703	Mandelate racemase	reviewed	-	mdlA	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
P20906	BXGT008613	Benzoylformate decarboxylase	reviewed	mdlC	-	-	-	-	-
P11444	BXGT007703	Mandelate racemase	reviewed	mdlA	-	-	-	-	-
Q9Z4X7	BXGT022428	Putative 4-hydroxyphenylpyruvic acid dioxygenase	unreviewed	SCO3229	-	-	-	-	-
A0A0H3LM73	BXGT000463	Putative extracellular solute-binding protein	unreviewed	BB2442	-	-	-	-	-
O52792	BXGT023675	4-hydroxymandelate oxidase	reviewed	hmo	-	-	-	-	-

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	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	361000	-	-	-
reviewed	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	-	>100000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	5500000	-	-
reviewed	BXGT007703	Mandelate racemase	reviewed		mdlA	590000	-	-	-
reviewed	BXGT007703	Mandelate racemase	reviewed		mdlA	810000	-	-	-

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
P11444	BXGT007703	Mandelate racemase	reviewed	-	mdlA	Ki	'='	590000	nM
Q64346	BXGT016113	Dual specificity protein phosphatase 6	reviewed	-	Dusp6	IC50	'>'	100000	nM
P35236	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	IC50	'>'	100000	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	5500000	nM
P11444	BXGT007703	Mandelate racemase	reviewed	-	mdlA	Ki	'='	810000	nM
P04406	BXGT006207	Glyceraldehyde-3-phosphate dehydrogenase	reviewed	Enzyme	GAPDH	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	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}