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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

Ligand

Name	Glycopyrronium
Molecular formula	C19H28NO3+
IUPAC name	(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Molecular weight	318.437
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	NCGC00179456-02 Prestwick3_000746 Qbrexza® (glycopyrronium cloth) SCHEMBL133002 1,1-Dimethyl-3-hydroxypyrrolidinium bromide .alpha.-cyclopentylmandelate AD-237 Bromure de ritropirronium D0M0AM Glycopyrronium (USAN) L001045 NSC251252 Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, .alpha.-cyclopentylmandelate Robanul (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate Tovanor Breezhaler 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester AB00513912 BDBM50417445 G00010-Watson-Int MRF-0000310 Prestwick1_000746 Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl- Salt*) (1,1-dimethylpyrrolidin-1-ium-3-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate 3-Hydroxy-1,1-dimethylpyrrolidinium bromide-.alpha.-cyclopentylmandelate AC1L1G28 BRD-A81233518-004-07-0 Cuvposa Glycopyrroni bromidum NSC250836 PT-001 Ritropirronium bromide (1,1-Dimethyl-2,3,4,5-tetrahydropyrrol-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide Seebri Neohaler 1-Methyl-3-pyrrolidinyl .alpha.-phenylcyclopentaneglycolate methobromide 740028-90-4 AHR-504 BSPBio_000732 D10938 Glycopyrronium bromide (JAN/INN) Mandelic acid, .alpha.-cyclopentyl-, ester with 3-hydroxy-1,1-dimethylpyrrolidinium bromide NVA 237 Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, alpha-cyclopentylmandelate Robinal (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate ZLA0012 3-(erythro-2-Cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpyrrolidiniumbromid AB00513912-08 Beta-1-Methyl-3-pyrrolidyl-alpha-cyclopentylmandelate methobromide CHEMBL1201335 Glycopyrrolate (USP) NCGC00179456-01 Prestwick2_000746 Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide SBI-0206947.P001 .beta.-1-Methyl-3-pyrrolidyl-.alpha.-cyclopentylmandelate methobromide 3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium AC1Q60WT Bromure de ritropirronio D0IL1B NSC251251 Pyrrolidinium, 3-((cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide Ritropirronium bromide [INN] (1,1-Dimethyl-2,3,4,5-tetrahydropyrrol-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide Glycopyrronium bromide SPBio_002671 13283-82-4 ANGKOCUUWGHLCE-UHFFFAOYSA-N CHEBI:94449 DTXSID2048165 GTPL7459 MCD-386/glycopyrrolate Prestwick0_000746 Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, alpha-cyclopentylmandelate (8CI) Robinul (TN) (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide zlchem 10 3-Hydroxy-1,1-dimethylpyrrolidinium bromide .alpha.-cyclopentylmandelate AB00513912_10 BPBio1_000806 CTK0F4931 Glycopyrrolate [USAN] [ Show all ]
Inchi Key	ANGKOCUUWGHLCE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
PubChem CID	3494
ChEMBL	CHEMBL1201335
IUPHAR	7459
BindingDB	50417445
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.126 nM	PMID21036043	BindingDB
IC50	0.126 nM	PMID21036043	IUPHAR

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