acompound

Showing entry for Neodysidenin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018504
Compound Name	Neodysidenin
Structure
Formula	C17H23Cl6N3O2S
InchiKey	MBVQTLXBQHZLRO-YFKTTZPYSA-N
SMILES	OC(=N[C@H](C(=O)N([C@@H](c1nccs1)C)C)C[C@@H](C(Cl)(Cl)Cl)C)C[C@@H](C(Cl)(Cl)Cl)C
Inchi	InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1
IUPAC	(2S,4S)-5,5,5-trichloro-N,4-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-2-[[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]pentanamide
Molecular Weight	542.96
Pubchem Id	15482063
Chembl Id	CHEMBL392270

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	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	-	>500000	-	-
reviewed	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	>500000	-	-	-
reviewed	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	17000	-	-	-
reviewed	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	-	>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
P18054	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	Ki	'='	17000	nM
P18054	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	IC50	'>'	100000	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	IC50	-	-	-
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Ki	'>'	500000	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	IC50	'>'	500000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01590	Viguiera cordifolia	Viguiera cordifolia	Others
BXGF01692	Achillea leptophylla	Achillea leptophylla	Medicinal Plant
BXGF01740	Oxybasis urbica	Oxybasis urbica	Others
BXGF02216	Zieria chevalieri	Zieria chevalieri	Others
BXGF02312	Alibertia macrophylla	Alibertia macrophylla	Others
BXGF02418	Dorstenia barnimiana	Dorstenia barnimiana	Human Edible Plant
BXGF02591	Uvaria mocoli	Uvaria mocoli	Medicinal Plant
BXGF02602	Sedum forsterianum	Sedum forsterianum	Medicinal Plant
BXGF05352	Dioscorea futschauensis	Dioscorea futschauensis	Medicinal Plant
BXGF05917	Verbascum georgicum	Verbascum georgicum	Others
BXGF06138	Rubia ustulata	Rubia ustulata	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}