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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Rattus norvegicus (Rat)
Gene	Chrm3
Synonym	M3R M3 receptor HM4 Chrm-3 cholinergic receptor, muscarinic 3, cardiac cholinergic receptor, muscarinic 3 cholinergic receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	589
Amino acid sequence	MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProt	P08483
Protein Data Bank	4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4daj.
BioLiP	BL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target Database	N/A
ChEMBL	CHEMBL320
IUPHAR	15
DrugBank	N/A

Ligand

Name	Oxotremorine
Molecular formula	C12H18N2O
IUPAC name	1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Molecular weight	206.289
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	0.4
Synonyms	CHEMBL7634 FT-0631303 KBio2_001928 KBioSS_001928 NCGC00015773-02 NSC 330497 SCHEMBL2128 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Spectrum_001448 BRN 1530948 D08FOC HMS2089F17 KBio2_004961 Lopac-O-9126 NCGC00015773-05 Oxotremorin Spectrum2_001568 2'-Oxopyrrolidino-1-pyrrolidino-4-butyne Tocris-0843 AB00053670-07 C07485 CHEBI:7851 DTXSID10220252 IDI1_000410 KBio3_002698 MLS000766260 NCGC00024821-03 Oxytremorine 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one (oxotremorphine) Spectrum5_001099 2-Pyrrolidinone,1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]- WLN: T5NVTJ A2UU2- AT5NTJ BDBM50004665 cid_4630 Green tea KBio2_002393 KBioSS_002398 NCGC00015773-03 NSC-330497 SMR000528860 1-(4-pyrrolidino-2-butynyl)-2-pyrrolidinone Spectrum_001875 5RY0UWH1JL BSPBio_003198 CC-33422 D0L1XR HMS2231C13 KBio2_007064 Lopac0_000914 NCGC00024821-01 1-(4-(Pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one Spectrum3_001599 2-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)- Tremorine, oxo- AC1L1ILJ EINECS 200-728-0 KBio1_000410 KBioGR_001404 NCGC00015773-01 NINDS_000410 RSDOPYMFZBJHRL-UHFFFAOYSA-N 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one(Oxotremorine) Spectrum5_001686 ZINC1530795 BRD-K21936341-051-02-4 CTK5D2064 GTPL302 KBio2_004496 L001302 NCGC00015773-04 NSC330497 (oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one SPBio_001476 1-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidinium SR-01000075154-3 70-22-4 C-29897 CCG-204996 DivK1c_000410 HMS3372G17 KBio2_007529 LS-139008 NCGC00024821-02 Oxotremorine1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one Spectrum4_000912 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]- UNII-5RY0UWH1JL AC1Q6LI4 [ Show all ]
Inchi Key	RSDOPYMFZBJHRL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
PubChem CID	4630
ChEMBL	CHEMBL7634
IUPHAR	302
BindingDB	50004665
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	2.51189e+15 nM	PMID9703467	ChEMBL

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