acompound

Showing entry for 2-(2-Amino-3-Phenyl-Propionylamino)-4-Methyl-Pentanoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042481
Compound Name	2-(2-Amino-3-Phenyl-Propionylamino)-4-Methyl-Pentanoic Acid
Structure
Formula	C15H22N2O3
InchiKey	RFCVXVPWSPOMFJ-STQMWFEESA-N
SMILES	N[C@H](C(=N[C@H](C(=O)O)CC(C)C)O)Cc1ccccc1
Inchi	InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
IUPAC	(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular Weight	278.16
Pubchem Id	76808
Chembl Id	CHEMBL37879

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

n.a

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

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	BXGT008087	Aminopeptidase N	reviewed	Enzyme	ANPEP	-	1000000	-	-
reviewed	BXGT018915	Aminopeptidase B	reviewed		Rnpep	-	1000000	-	-
reviewed	BXGT016018	Neprilysin	reviewed		Mme	-	20000	-	-
reviewed	BXGT006894	Angiotensin-converting enzyme	reviewed		Ace	-	700000	-	-

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
Q61391	BXGT016018	Neprilysin	reviewed	-	Mme	IC50	'='	20000	nM
P15144	BXGT008087	Aminopeptidase N	reviewed	Enzyme	ANPEP	IC50	'='	1000000	nM
P09470	BXGT006894	Angiotensin-converting enzyme	reviewed	-	Ace	IC50	'='	700000	nM
Q8VCT3	BXGT018915	Aminopeptidase B	reviewed	-	Rnpep	IC50	'='	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	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}