acompound

Showing entry for cyclo(phenylalanyl-prolyl)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038234
Compound Name	cyclo(phenylalanyl-prolyl)
Structure
Formula	C14H16N2O2
InchiKey	QZBUWPVZSXDWSB-RYUDHWBXSA-N
SMILES	OC1=N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1CCC2
Inchi	InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1
IUPAC	(3S,8aS)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Weight	244.12
Pubchem Id	443440
Chembl Id	CHEMBL512845

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	BXGT012635	Dihydroorotate dehydrogenase (quinone), mitochondrial	reviewed	Enzyme	DHODH	-	>5.0e+4	-	-

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
P13500	BXGT007916	C-C motif chemokine 2	reviewed	Signaling	CCL2	Inhibition	-	-	-
P25103	BXGT009020	Substance-P receptor	reviewed	G-protein coupled receptor	TACR1	Activity	-	-	-
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
P13500	BXGT007916	C-C motif chemokine 2	reviewed	Signaling	CCL2	Inhibition	'='	50	%
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	112201	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01220	Hypericum scabrum	Hypericum scabrum	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}