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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

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	HMS2231N11 Hyoscyamine [USP:BAN] l-Hyopscyamine (-)-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 Hyocyamine Hyospaz 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 ENDO-ATROPINE Hyoscyamine (L) J-000364 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 HMS3712P07 Hyoscyamine, l- L-Hyoscamine (-)-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 Hyoscyamin Hyosyne 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 HMS2095P07 Hyoscyamine (USP) l-Atropine 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 HSDB 3552 Hyoscyaminum (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 EINECS 202-933-0 hyoscyamine I06-2035 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 [ 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	2.818 nM	PMID25051097	ChEMBL
Ki	3.631 nM	PMID25051097	ChEMBL
Ki	5.012 nM	PMID25051097	ChEMBL
Ki	12.88 nM	PMID25051097	ChEMBL

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