acompound

Showing entry for (2R,3R,4S)-2-(((R)-2-Hydroxy-1-Phenylethylamino)Methyl)Pyrrolidine-3,4-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012481
Compound Name	(2R,3R,4S)-2-(((R)-2-Hydroxy-1-Phenylethylamino)Methyl)Pyrrolidine-3,4-Diol
Structure
Formula	C13H20N2O3
InchiKey	OGMKEJTXCCFISS-MROQNXINSA-N
SMILES	OC[C@@H](c1ccccc1)NC[C@H]1NC[C@@H]([C@@H]1O)O
Inchi	InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
IUPAC	(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
Molecular Weight	252.15
Pubchem Id	11425273
Chembl Id	CHEMBL425723

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
Q24451	BXGT013891	Alpha-mannosidase 2	reviewed	alpha-Man-IIa	-	-	80000	-	-

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	BXGT003944	Lysosomal alpha-mannosidase	reviewed		MAN2B1	-	50000	-	-
reviewed	BXGT003944	Lysosomal alpha-mannosidase	reviewed		MAN2B1	-	25000	-	-
reviewed	BXGT003944	Lysosomal alpha-mannosidase	reviewed		MAN2B1	41500	-	-	-
reviewed	BXGT003944	Lysosomal alpha-mannosidase	reviewed		MAN2B1	32500	-	-	-
reviewed	BXGT003944	Lysosomal alpha-mannosidase	reviewed		MAN2B1	23300	-	-	-
reviewed	BXGT013660	Alpha-mannosidase 2	reviewed		MAN2A1	26930	-	-	-
reviewed	BXGT021747	Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase	reviewed	Chaperone	MAN1B1	16810	-	-	-

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
Q9SEH8	BXGT021581	alpha-1,2-Mannosidase	unreviewed	-	Man1	Ki	'='	135	nM
O00754	BXGT003944	Lysosomal alpha-mannosidase	reviewed	-	MAN2B1	Ki	'='	23300	nM
O00754	BXGT003944	Lysosomal alpha-mannosidase	reviewed	-	MAN2B1	IC50	'='	50000	nM
O00754	BXGT003944	Lysosomal alpha-mannosidase	reviewed	-	MAN2B1	IC50	'='	25000	nM
O00754	BXGT003944	Lysosomal alpha-mannosidase	reviewed	-	MAN2B1	Ki	'='	41500	nM
Q9SEH8	BXGT021581	alpha-1,2-Mannosidase	unreviewed	-	Man1	IC50	'='	700	nM
Q9SEH8	BXGT021581	alpha-1,2-Mannosidase	unreviewed	-	Man1	Inhibition	'='	93	%
O00754	BXGT003944	Lysosomal alpha-mannosidase	reviewed	-	MAN2B1	Ki	'='	32500	nM
Q9SEH8	BXGT021581	alpha-1,2-Mannosidase	unreviewed	-	Man1	IC50	'='	46000	nM
Q9SEH8	BXGT021581	alpha-1,2-Mannosidase	unreviewed	-	Man1	Inhibition	'='	100	%
Q9SEH8	BXGT021581	alpha-1,2-Mannosidase	unreviewed	-	Man1	Ki	'='	9500	nM
Q16706	BXGT013660	Alpha-mannosidase 2	reviewed	-	MAN2A1	Ki	'='	26930	nM
Q9UKM7	BXGT021747	Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase	reviewed	Chaperone	MAN1B1	Ki	'='	16810	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05387	Garcinia multiflora	Garcinia multiflora	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}