acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035993
Compound Name	n.a
Structure
Formula	C29H50O4
InchiKey	XSELOQGXDYVVCH-CYDJTLQWSA-N
SMILES	C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@]1(C)CC[C@]2(O1)C(=O)C(=C(C(=O)[C@]2(C)O)C)C
Inchi	InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(7)18-19-29(33-27)26(31)24(6)23(5)25(30)28(29,8)32/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28+,29+/m1/s1
IUPAC
Molecular Weight	462.37
Pubchem Id	118721519
Chembl Id	CHEMBL3356398

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	11010	-	-

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
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	Inhibition	'<'	50	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	11010	nM
P10586	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	Inhibition	'<'	50	%
P30305	BXGT009419	M-phase inducer phosphatase 2	reviewed	Enzyme	CDC25B	Inhibition	'<'	50	%
P29350	BXGT009335	Tyrosine-protein phosphatase non-receptor type 6	reviewed	-	PTPN6	Inhibition	'<'	50	%
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Inhibition	'<'	50	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01637	Gynura segetum	Gynura segetum	Medicinal Plant
BXGF03511	Caulerpa racemosa	Caulerpa racemosa	Human Edible 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}