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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	CHEMBL445134
Molecular formula	C21H35NO3
IUPAC name	(3S,3aR,4R,4aS,8aR,9aS)-4-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	349.515
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	(3S)-3beta-Methyl-4alpha-[3-(4-hydroxypiperidino)propyl]-1,3,3abeta,4,4aalpha,5,6,7,8,8abeta,9,9abeta-dodecahydronaphtho[2,3-c]furan-1-one BDBM50076097 (3S,3aR,4R,4aS,8aR,9aS)-4-[3-(4-Hydroxy-piperidin-1-yl)-propyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi Key	AKFIRFVMMKACOO-LUGRNRNJSA-N
Inchi ID	InChI=1S/C21H35NO3/c1-14-20-18(7-4-10-22-11-8-16(23)9-12-22)17-6-3-2-5-15(17)13-19(20)21(24)25-14/h14-20,23H,2-13H2,1H3/t14-,15+,17-,18+,19-,20+/m0/s1
PubChem CID	44382864
ChEMBL	CHEMBL445134
IUPHAR	N/A
BindingDB	50076097
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	<900.0 nM	PMID10206558	BindingDB,ChEMBL

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