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GLASS

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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	CHEMBL170205
Molecular formula	C21H35NO2
IUPAC name	(3S,3aR,4R,4aS,8aR,9aS)-3-methyl-4-(3-piperidin-1-ylpropyl)-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	333.516
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.0
Synonyms	(3S)-3beta-Methyl-4alpha-(3-piperidinopropyl)-1,3,3abeta,4,4aalpha,5,6,7,8,8abeta,9,9abeta-dodecahydronaphtho[2,3-c]furan-1-one BDBM50076096 (3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-(3-piperidin-1-yl-propyl)-decahydro-naphtho[2,3-c]furan-1-one
Inchi Key	ANBSDISLLOPZAN-HMGBVJPOSA-N
Inchi ID	InChI=1S/C21H35NO2/c1-15-20-18(10-7-13-22-11-5-2-6-12-22)17-9-4-3-8-16(17)14-19(20)21(23)24-15/h15-20H,2-14H2,1H3/t15-,16+,17-,18+,19-,20+/m0/s1
PubChem CID	44382858
ChEMBL	CHEMBL170205
IUPHAR	N/A
BindingDB	50076096
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	427.0 nM	PMID10206558	BindingDB,ChEMBL

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