acompound

Showing entry for Ursocholanic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043920
Compound Name	Ursocholanic Acid
Structure
Formula	C24H40O2
InchiKey	RPKLZQLYODPWTM-LVVAJZGHSA-N
SMILES	OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCCC2)C
Inchi	InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
IUPAC	(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Weight	360.3
Pubchem Id	92803
Chembl Id	CHEMBL429432

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	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	-	-	-	6080

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	98	%
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	EC50	'='	6080	nM
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	Efficacy	'='	76	%
P49810	BXGT010747	Presenilin-2	reviewed	Enzyme	PSEN2	IC50	'='	5680	nM
Q92542	BXGT019354	Nicastrin	reviewed	-	NCSTN	IC50	'='	5680	nM
P49768	BXGT010740	Presenilin-1	reviewed	Enzyme	PSEN1	IC50	'='	5680	nM
Q8WW43	BXGT018998	Gamma-secretase subunit APH-1B	reviewed	Enzyme modulator	APH1B	IC50	'='	5680	nM
Q9NZ42	BXGT021268	Gamma-secretase subunit PEN-2	reviewed	-	PSENEN	IC50	'='	5680	nM
Q96BI3	BXGT019623	Gamma-secretase subunit APH-1A	reviewed	Enzyme modulator	APH1A	IC50	'='	5680	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	102	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04705	Abrus precatorius	Abrus precatorius	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}