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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	CHEMBL194870
Molecular formula	C23H22F2N2O2
IUPAC name	N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl]-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide
Molecular weight	396.438
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50165013 N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)-but-2-ynyl]-2,2-bis-(4-fluoro-phenyl)-2-hydroxy-acetamide
Inchi Key	CSRMKZBLAHZGOX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22F2N2O2/c24-20-7-3-18(4-8-20)23(29,19-5-9-21(25)10-6-19)22(28)26-11-1-2-12-27-14-16-13-17(16)15-27/h3-10,16-17,29H,11-15H2,(H,26,28)
PubChem CID	44400762
ChEMBL	CHEMBL194870
IUPHAR	N/A
BindingDB	50165013
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	366.0 nM	PMID15808475	BindingDB,ChEMBL

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