acompound

Showing entry for oscillaginin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027558
Compound Name	oscillaginin A
Structure
Formula	C29H47ClN4O8
InchiKey	QYOGCHNVZHLFTR-RYWAYVEBSA-N
SMILES	ClCCCCCCC[C@H]([C@@H](C(=N[C@H](C(=O)N([C@H](C(=N[C@H](C(=O)O)CCc1ccc(cc1)O)O)C(C)C)C)CO)O)O)N
Inchi	InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
IUPAC	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
Molecular Weight	614.31
Pubchem Id	46902107
Chembl Id	CHEMBL3188512

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

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
Q9NZ08	BXGT021266	Endoplasmic reticulum aminopeptidase 1	reviewed	Enzyme	ERAP1	AC50	'='	682	nM
Q6P179	BXGT016440	Endoplasmic reticulum aminopeptidase 2	reviewed	Enzyme	ERAP2	AC50	'='	1470	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01315	Ipomoea purpurea	Ipomoea purpurea	Medicinal Plant
BXGF02356	Elsholtzia bodinieri	Elsholtzia bodinieri	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}