acompound

Showing entry for Oprea1_783471

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045008
Compound Name	Oprea1_783471
Structure
Formula	C14H17NO3
InchiKey	ABPXISKFLMGPJG-UHFFFAOYSA-N
SMILES	O=C(c1ccc2c(c1)OCO2)N1CCCCCC1
Inchi	InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2
IUPAC
Molecular Weight	247.12
Pubchem Id	673374
Chembl Id	CHEMBL2203921

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	PTPN1	-	-	-	-	-
Q8IU60	BXGT023326	m7GpppN-mRNA hydrolase	reviewed	DCP2	-	-	-	-	-
P0DTD1	BXGT023328	Replicase polyprotein 1ab	reviewed	rep	-	-	-	-	-

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	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	-	>100000	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	>100000	-	-

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
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'>'	100000	nM
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices

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}