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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Arecaidine propargyl ester
Molecular formula	C10H13NO2
IUPAC name	prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Molecular weight	179.219
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.5
Synonyms	NCGC00015006-04 2-Propynyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate DTXSID30274358 Lopac-A-140 prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propynyl ester CHEBI:92418 NCGC00015006-02 SPHRJZBOFYIKMC-UHFFFAOYSA-N AC1Q62JO CTK1B6885 NCGC00162072-01 2-Propynyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate # BRD-K23922020-075-01-1 GTPL295 Lopac0_000136 prop-2-ynyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate 35516-99-5 NCGC00015006-03 ZINC25720839 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid, 2-propynyl ester AKOS030566155 D0I9LU NCGC00162072-02 CCG-204231 L000114 NCGC00015006-01 SCHEMBL13184690 AC1L1D7L CHEMBL128365 [ Show all ]
Inchi Key	SPHRJZBOFYIKMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
PubChem CID	2229
ChEMBL	CHEMBL128365
IUPHAR	295
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
Ki	398.107 nM	PMID9224827	IUPHAR
Ki	1230.27 nM	PMID16539379	ChEMBL
pD2	7.14 -	PMID16539379	ChEMBL

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