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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	L-Hyoscyamine
Molecular formula	C17H23NO3
IUPAC name	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular weight	289.375
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.8
Synonyms	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE MLS002222193 (S)-(-)-Hyoscyamine RKUNBYITZUJHSG-FXUDXRNXSA-N 1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester) Symax Duotab 8000-07-5 UNII-7C0697DR9I component RKUNBYITZUJHSG-FXUDXRNXSA-N Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)- [3(S)-endo]-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester CHEBI:92712 Daturine HSDB 3552 Hyoscyaminum Levsin SL (2S)-2-Phenyl-3-hydroxypropionic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3beta-yl ester NCGC00179608-01 (S)atropine SCHEMBL41316 38411-64-2 tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate AJ-07844 ZINC100068360 BRD-K40530731-001-11-6 EINECS 202-933-0 hyoscyamine I06-2035 (-)-Atropine MLS001304011 (leo)-atropine Prestwick_273 1891070-00-0 SR-01000799139-2 5934-50-9 Tropine, (-)-tropate (ester) Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate CCG-220233 D0NZ3Q HMS2231N11 Hyoscyamine [USP:BAN] l-Hyopscyamine L-Tropine tropate (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate MolPort-002-526-676 (S)-(leo)-hyoscyamine SCHEMBL1649244 28905-40-0 Symax SL AC1L4C8O UNII-PX44XO846X BPBio1_000337 [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester CHEMBL1234973 DB00424 Hyocyamine Hyospaz Levsinex SR (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate OIN 1-Hyoscyamine SMR000718747 47170-56-9 Tropic acid, (-)-, ester with tropine AKOS015896332 ZINC56 BSPBio_000305 CHEMBL2449003 ENDO-ATROPINE Hyoscyamine (L) J-000364 (-)-Hyoscyamine MLS002154242 (leo)-hyoscyamine PX44XO846X 1892-81-5 ST24034062 6835-16-1 Tropine-L-tropate Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate CHEBI:17486 Daturin HMS3712P07 Hyoscyamine, l- L-Hyoscamine Levbid (2S)-(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate MolPort-035-675-645 (S)-Atropine SCHEMBL249586 2arm Symax SR Actoferrin ZINC100009280 BRD-K40530731-001-02-5 CHEMBL1331216 Duboisine Hyoscyamin Hyosyne MCULE-1764209130 (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate Prestwick3_000233 101-31-5 SR-01000799139 5908-99-6 Tropine, (-)-tropate Anaspaz, Levbid, Levsin [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate C02046 D00147 HMS2095P07 Hyoscyamine (USP) l-Atropine [ Show all ]
Inchi Key	RKUNBYITZUJHSG-VFSICIBPSA-N
Inchi ID	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
PubChem CID	154417
ChEMBL	CHEMBL2449003
IUPHAR	N/A
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	0.2692 nM	PMID24365159	ChEMBL
Ki	0.27 nM	PMID24365159	ChEMBL

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