acompound

Showing entry for Hyoscyamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028104
Compound Name	Hyoscyamine
Structure
Formula	C17H23NO3
InchiKey	RKUNBYITZUJHSG-FXUDXRNXSA-N
SMILES	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C
Inchi	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
IUPAC
Molecular Weight	289.17
Pubchem Id
Chembl Id	CHEMBL1331216

Targets of Information Source

DrugBank

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
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	approved	antagonist
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	approved	antagonist
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	approved	antagonist
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	approved	antagonist

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
Q6EZB3	BXGT025672	Hyoscyamine 6 beta-hydroxylase	unreviewed	H6H	-	-	-	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	3	%
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	183	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	6513	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	6513	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	6513	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	1031	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	8912	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	102	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	15	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	97	%
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'>'	1000000	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	29934	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00361	Lambsquarters	Chenopodium album	Vegetables
BXGF00925	Scopolia carniolica	Scopolia carniolica	Medicinal Plant
BXGF00992	Callitris drummondii	Callitris drummondii	Others
BXGF02285	Viscum articulatum	Viscum articulatum	Medicinal Plant
BXGF02708	Cardiospermum hirsutum	Cardiospermum hirsutum	Medicinal Plant
BXGF03255	Datura inoxia	Datura inoxia	Medicinal Plant
BXGF05339	Capuronianthus mahafalensis	Capuronianthus mahafalensis	Others
BXGF05800	Mimosa pudica	Mimosa pudica	Medicinal Plant
BXGF05947	Solanum olgae	Solanum olgae	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}