acompound

Showing entry for Kukoamine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036286
Compound Name	Kukoamine A
Structure
Formula	C28H42N4O6
InchiKey	IOLDDENZPBFBHV-UHFFFAOYSA-N
SMILES	OC(=NCCCNCCCCNCCCN=C(CCc1ccc(c(c1)O)O)O)CCc1ccc(c(c1)O)O
Inchi	InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
IUPAC	3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
Molecular Weight	530.31
Pubchem Id	5318865
Chembl Id	CHEMBL79129

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	BXGT010083	Trypanothione reductase	reviewed		TPR	1800	-	-	-
reviewed	BXGT010083	Trypanothione reductase	reviewed		TPR	13000	-	-	-
reviewed	BXGT009278	Trypanothione reductase	reviewed		TPR	76	-	-	-

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
P39040	BXGT010083	Trypanothione reductase	reviewed	-	TPR	Ki	'='	1800	nM
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	Ki	'='	76	nM
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	Inhibition constant	'='	0	-
P39040	BXGT010083	Trypanothione reductase	reviewed	-	TPR	Ki	'='	13000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02567	Lycium chinense	Lycium chinense	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}