acompound

Showing entry for protopine

General Compound Information
BXGC Id	BXGC0041414
Compound Name	protopine
Structure
Formula	C20H19NO5
InchiKey	GPTFURBXHJWNHR-UHFFFAOYSA-N
SMILES	CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)c1OCOc1cc2
Inchi	InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
IUPAC
Molecular Weight	353.13
Pubchem Id	4970
Chembl Id	CHEMBL453019

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

CHEMBL453019

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
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	12589	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	11220	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	50	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	10000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	25118	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	7062	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	31622	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00008	Garlic	Allium sativum	Herbs and Spices
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF00883	Chrozophora prostrata	Chrozophora prostrata	Medicinal Plant
BXGF01052	Artabotrys maingayi	Artabotrys maingayi	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01723	Erythrophleum suaveolens	Erythrophleum suaveolens	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01752	Corydalis decumbens	Corydalis decumbens	Medicinal Plant
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF02455	Cyperus nipponicus	Cyperus nipponicus	Others
BXGF02736	Larix decidua	Larix decidua	Medicinal Plant
BXGF02986	Dendrobium amplum	Dendrobium amplum	Others
BXGF03013	Dalbergia spruceana	Dalbergia spruceana	Medicinal Plant
BXGF03037	Corydalis cava	Corydalis cava	Medicinal Plant
BXGF03333	Nuxia sphaerocephala	Nuxia sphaerocephala	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03464	Senna spectabilis	Senna spectabilis	Medicinal Plant
BXGF03578	Horsfieldia glabra	Horsfieldia glabra	Medicinal Plant
BXGF03612	Symphytum officinale	Symphytum officinale	Medicinal Plant
BXGF03764	Psacalium peltatum	Psacalium peltatum	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF03830	Diospyros ebenum	Diospyros ebenum	Medicinal Plant
BXGF03870	Aloe microstigma	Aloe microstigma	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03971	Corydalis ophiocarpa	Corydalis ophiocarpa	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04055	Teclea sudanica	Teclea sudanica	Others
BXGF04063	Mezzettia leptopoda	Mezzettia leptopoda	Others
BXGF04119	Stachys plumosa	Stachys plumosa	Others
BXGF04178	Piper methysticum	Piper methysticum	Medicinal Plant
BXGF04190	Lappula echinata	Lappula echinata	Medicinal Plant
BXGF04237	Ligularia sagitta	Ligularia sagitta	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04806	Ulex airensis	Ulex airensis	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04853	Prunus humilis	Prunus humilis	Medicinal Plant
BXGF04911	Corydalis bungeanae herba	Corydalis bungeanae herba	Others
BXGF04912	Corydalis rhizoma	Corydalis rhizoma	Others
BXGF05074	Chaetomorpha moniligera	Chaetomorpha moniligera	Others
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	Medicinal Plant
BXGF06188	Swertia mussotii	Swertia mussotii	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}