acompound

Showing entry for 3beta-Hydroxycholesta-5,22-diene-24-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042728
Compound Name	3beta-Hydroxycholesta-5,22-diene-24-one
Structure
Formula	C27H42O2
InchiKey	VMXMLOFNEQBYHM-INVHITAPSA-N
SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/C(=O)C(C)C)C)C)C1)C
Inchi	InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
IUPAC
Molecular Weight	398.32
Pubchem Id	15429542
Chembl Id	CHEMBL3356400

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	-	49970	-	-

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	49970	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	Inhibition	'<'	50	%
P10586	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	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	%
P30305	BXGT009419	M-phase inducer phosphatase 2	reviewed	Enzyme	CDC25B	Inhibition	'<'	50	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
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}