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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Homo sapiens (Human)
Gene	CHRM3
Synonym	cholinergic receptor cholinergic receptor, muscarinic 3 cholinergic receptor, muscarinic 3, cardiac Chrm-3 HM4 M3 receptor M3R [ Show all ]
Disease	Urinary incontinence Overactive bladder Overactive bladder disorder Postoperative nausea and vomiting Respiratory disease Glaucoma Diagnosing bronchial hyperreactivity Chronic obstructive pulmonary disease Seborrhea Sjogren's syndrome Spasms; Pain Unspecified Alzheimer disease Obstructive lung diseases [ Show all ]
Length	590
Amino acid sequence	MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
UniProt	P20309
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T67684
ChEMBL	CHEMBL245
IUPHAR	15
DrugBank	BE0000045

Ligand

Name	N-Allyl Brucine Iodide
Molecular formula	C26H31N2O4+
IUPAC name	(4aR,5aS,8aS,13aS,15aS,15bR)-10,11-dimethoxy-6-prop-2-enyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Molecular weight	435.544
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.6
Synonyms	CHEMBL140076 19-Allyl-2,3-dimethoxy-10-oxostrychnidine-19-ium
Inchi Key	AONOIOROLLXNKA-NZKWEKDOSA-N
Inchi ID	InChI=1S/C26H31N2O4/c1-4-7-28-8-6-26-17-11-19(30-2)20(31-3)12-18(17)27-23(29)13-21-24(25(26)27)16(10-22(26)28)15(14-28)5-9-32-21/h4-5,11-12,16,21-22,24-25H,1,6-10,13-14H2,2-3H3/q+1/t16-,21-,22-,24-,25-,26+,28?/m0/s1
PubChem CID	10793015
ChEMBL	CHEMBL140076
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Affinity	3.5 -	PMID9986715	ChEMBL
Affinity	3.8 -	PMID9986715	ChEMBL
Cooperativity	0.8 -	PMID9986715	ChEMBL
Cooperativity	2.0 -	PMID9986715	ChEMBL

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