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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL190459
Molecular formula	C23H29NO4
IUPAC name	4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl 2-cyclopentyl-2-hydroxy-2-(4-methoxyphenyl)acetate
Molecular weight	383.488
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)-but-2-ynyl]-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide BDBM50165014 Cyclopentyl-hydroxy-(4-methoxy-phenyl)-acetic acid 4-(3-aza-bicyclo[3.1.0]hex-3-yl)-but-2-ynyl ester
Inchi Key	FVUJGTUMLXJKBD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29NO4/c1-27-21-10-8-20(9-11-21)23(26,19-6-2-3-7-19)22(25)28-13-5-4-12-24-15-17-14-18(17)16-24/h8-11,17-19,26H,2-3,6-7,12-16H2,1H3
PubChem CID	44400218
ChEMBL	CHEMBL190459
IUPHAR	N/A
BindingDB	50165014
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	964.0 nM	PMID15808475	ChEMBL
Ki	964.0 nM	PMID15808475	BindingDB

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