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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	Oxotremorine 1
Molecular formula	C11H18N2O
IUPAC name	N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
Molecular weight	194.278
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	0.3
Synonyms	Acetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butyn-1-yl]- LS-10001 BRN 4247641 N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide UH-5 AC1L2EPH DTXSID90191870 N-Methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide # Acetamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- N-(4-pyrrolidino-2-butynyl) -N-methylacetamide SCHEMBL11726909 3854-05-5 N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide UH5;N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide ACETAMIDE, N-METHYL-N-(4-(1-PYRROLIDINYL)-2-BUTYNYL)- HWYHDWGGACRVEH-UHFFFAOYSA-N Oxo 1 BDBM50009300 N-Methyl-N-(4-pyrrolidin-1'-ylbut-2-ynyl)acetamide UH 5 CHEMBL11081 N-methyl-N-(4-pyrrolidino-2-butynyl)acetamide [ Show all ]
Inchi Key	HWYHDWGGACRVEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PubChem CID	19716
ChEMBL	CHEMBL11081
IUPHAR	N/A
BindingDB	50009300
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	2450.0 nM	, Bioorg. Med. Chem. Lett., (1992) 2:8:803	BindingDB,ChEMBL

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