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GLASS

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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	aceclidine
Molecular formula	C9H15NO2
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl acetate
Molecular weight	169.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.7
Synonyms	NCGC00024733-02 3-Acetoxyquinuclidine NSC-758239 827A612 Spectrum3_001446 Aceclidine (USAN/INN) acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester BDBM50034625 DSSTox_RID_81035 HMS3264B20 KBio3_002411 1-Azabicyclo(2.2.2)octan-3-ol, acetate 1-Azabicyclo[2.2.2]oct-3-yl acetate # NCI60_020173 3-Quinuclidinol, acetate Pharmakon1600-01501124 AC1L1CNK Spectrum_001338 aceclidine,S(+) AK111028 BRD-A80567352-003-01-6 D02750 FCH835516 KB-80304 KS-00000M46 1-azabicyclo[2.2.2]octan-3-yl acetate NSC 657843 72353-53-8 SPBio_001110 Aceclidina [INN-Spanish] WRJPSSPFHGNBMG-UHFFFAOYSA-N Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester AN-25626 CCG-212926 DSSTox_CID_25658 Glaucostat KBio2_004386 (RS)-3-acetoxyquinuclidine MCULE-4689367855 NCGC00024733-03 3-Quinuclidinol acetate NSC657843 AB00053601_02 Spectrum4_000421 Aceclidine [USAN:INN] acetic acid quinuclidin-3-yl ester BRD-A32673558-001-01-7 CHEMBL20835 DTXSID2045658 I14-6971 KBioGR_000742 1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester) 1-Azabicyclo[2.2.2]octan-3-ol, acetate NCI60_020184 3-Quinuclidinol, acetate (ester) Quinuclidin-3-yl acetate aceclidin STL430459 Aceclidinum AKOS006281409 BSPBio_002911 DivK1c_000180 FT-0607358 KBio1_000180 (+) 3-acetoxy quinuclidine L023942 MolPort-001-783-614 2787AC NSC-657843 827-61-2 Spectrum2_001235 Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(aceclidine) AX8056501 CHEBI:93847 DSSTox_GSID_45658 Glaucostat (TN) KBio2_006954 NCGC00024733-04 3-Quinuclidinol acetate (ester) NSC758239 AB00053601_03 Spectrum5_001301 aceclidine,R(-) ACN-052914 BRD-A32673558-003-02-1 CS-B0278 EINECS 212-574-1 IDI1_000180 KBioSS_001818 1-Azabicyclo[2.2.2]oct-3-yl acetate 1-Azabicyclo[2.2.2]octan-3-ol, acetate (ester) NINDS_000180 SCHEMBL121393 Aceclidina Tox21_110921 Aceclidinum [INN-Latin] AL 304 CAS-827-61-2 DS-5025 Glaucadrine KBio2_001818 (RS) 3-acetoxy quinuclidine LS-143215 [ Show all ]
Inchi Key	WRJPSSPFHGNBMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
PubChem CID	1979
ChEMBL	CHEMBL20835
IUPHAR	N/A
BindingDB	50034625
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	<10000.0 nM	PMID8968358	BindingDB
Ki	22.5 nM	PMID8968358	BindingDB

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