acompound

Showing entry for (2S)-2-Hydroxy-2-Phenylacetic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022865
Compound Name	(2S)-2-Hydroxy-2-Phenylacetic Acid
Structure
Formula	C8H8O3
InchiKey	IWYDHOAUDWTVEP-ZETCQYMHSA-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-/m0/s1
IUPAC	(2S)-2-hydroxy-2-phenylacetic acid
Molecular Weight	152.05
Pubchem Id	439616
Chembl Id	CHEMBL58910

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
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
P11444	BXGT007703	Mandelate racemase	reviewed	mdlA	-	-	-	-	-
A4YVM8	BXGT001282	Putative Mandelate racemase/muconate lactonizing enzyme family protein	unreviewed	BRADO4202	-	-	-	-	-
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	621000	-	-	-
reviewed	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	-	>100000	-	-
reviewed	BXGT012231	E3 ubiquitin-protein ligase XIAP	reviewed	Enzyme modulator	XIAP	-	100000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	4900000	-	-
reviewed	BXGT007703	Mandelate racemase	reviewed		mdlA	570000	-	-	-

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	'='	570000	nM
P98170	BXGT012231	E3 ubiquitin-protein ligase XIAP	reviewed	Enzyme modulator	XIAP	IC50	'>'	100000	nM
Q64346	BXGT016113	Dual specificity protein phosphatase 6	reviewed	-	Dusp6	IC50	'>'	100000	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	562	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	4900000	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	39810	nM
P04406	BXGT006207	Glyceraldehyde-3-phosphate dehydrogenase	reviewed	Enzyme	GAPDH	IC50	'>'	100000	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	461	nM
P35236	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	IC50	'>'	100000	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	3264	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	3264	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	3264	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}