acompound

Showing entry for Antimycin A2a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033832
Compound Name	Antimycin A2a
Structure
Formula	C27H38N2O9
InchiKey	KHLDVDGEVBRYTL-JABWOZRQSA-N
SMILES	CCCCCC[C@H]1C(=O)O[C@H](C)[C@@H](C(=O)O[C@H]([C@@H]1OC(=O)C(C)C)C)N=C(c1cccc(c1O)N=CO)O
Inchi	InChI=1S/C27H38N2O9/c1-6-7-8-9-11-19-23(38-25(33)15(2)3)17(5)37-27(35)21(16(4)36-26(19)34)29-24(32)18-12-10-13-20(22(18)31)28-14-30/h10,12-17,19,21,23,31H,6-9,11H2,1-5H3,(H,28,30)(H,29,32)/t16-,17+,19-,21+,23+/m1/s1
IUPAC	[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
Molecular Weight	534.26
Pubchem Id	447434
Chembl Id	CHEMBL4287406

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
P00157	BXGT005470	Cytochrome b	reviewed	MT-CYB	-	-	-	-	-

Binding DB

n.a

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

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
P16638	BXGT008250	ATP-citrate synthase	reviewed	-	Acly	Ki	'='	4000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00363	Wild leek	Allium ampeloprasum	Vegetables
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}