acompound

General Compound Information
BXGC Id	BXGC0051993
Compound Name	Protopine
Structure
Formula	C20H19NO5
InchiKey	ZAALQOFZFANFTF-UHFFFAOYSA-N
SMILES	CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)cc1OCOc1c2
Inchi	InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3
IUPAC
Molecular Weight	353.13
Pubchem Id	185559
Chembl Id	CHEMBL486179

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	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	78	-	-	-
reviewed	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	-	-	-	>100000
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	>80000	-	-

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
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Ki	'='	78	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'>'	80000	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	EC50	'>'	100000	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01585	Thalictrum atriplex	Thalictrum atriplex	Others
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF01752	Corydalis decumbens	Corydalis decumbens	Medicinal Plant
BXGF02132	Thalictrum glandulosissimum	Thalictrum glandulosissimum	Others
BXGF02301	Thalictrum petaloideum	Thalictrum petaloideum	Others
BXGF03201	Thalictrum minus var. hypoleucum	Thalictrum minus var. hypoleucum	Human Edible Plant
BXGF03263	Thalictrum faberi	Thalictrum faberi	Others
BXGF03267	Thalictrum simplex	Thalictrum simplex	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04090	Thalictrum microgynum	Thalictrum microgynum	Medicinal Plant
BXGF04647	Nandina domestica	Nandina domestica	Medicinal Plant
BXGF04716	Corydalis remota	Corydalis remota	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04912	Corydalis rhizoma	Corydalis rhizoma	Others
BXGF04941	Thalictrum thunbergii	Thalictrum thunbergii	Medicinal Plant
BXGF05103	Argemone mexicana	Argemone mexicana	Medicinal Plant
BXGF05482	Cephalocroton cordofanus	Cephalocroton cordofanus	Human Edible Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05805	Toddalia asiatica	Toddalia asiatica	Medicinal Plant
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	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}