acompound

Showing entry for Purothionin AII

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0010138
Compound Name	Purothionin AII
Structure
Formula	C26H36N2O9
InchiKey	PVEVXUMVNWSNIG-PDPGNHKXSA-N
SMILES	CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O
Inchi	InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1
IUPAC	(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate
Molecular Weight	520.57
Pubchem Id	245869
Chembl Id	CHEMBL436605

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	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	-	2000	-	-
reviewed	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	124000	-	-	-
reviewed	BXGT019384	Bcl-2-like protein 2	reviewed	Signaling	BCL2L2	127000	-	-	-

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
P10415	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	Ki	'='	124000	nM
Q92843	BXGT019384	Bcl-2-like protein 2	reviewed	Signaling	BCL2L2	Ki	'='	127000	nM
P10415	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	Ki	'='	831	nM
P10415	BXGT007567	Apoptosis regulator Bcl-2	reviewed	Signaling	BCL2	IC50	'='	2000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00363	Wild leek	Allium ampeloprasum	Vegetables
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF02558	Drimia altissima	Drimia altissima	Medicinal Plant
BXGF02782	Helenium amarum	Helenium amarum	Medicinal Plant
BXGF02991	Scutellaria viscidula	Scutellaria viscidula	Medicinal Plant
BXGF03209	Senecio retrorsus	Senecio retrorsus	Medicinal Plant
BXGF03695	Taxus wallichiana	Taxus wallichiana	Medicinal Plant
BXGF03769	Artemisia iwayomogi	Artemisia iwayomogi	Others

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}