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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	CHEMBL255169
Molecular formula	C21H26ClN3O
IUPAC name	N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
Molecular weight	371.909
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	ZINC4840170 MolPort-002-301-553 AC1MGJ7Q N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide BDBM50373834 MCULE-1821787460 [ Show all ]
Inchi Key	SDHOGIQMQNVNCK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26ClN3O/c1-2-24-12-14-25(15-13-24)20-10-9-18(16-19(20)22)23-21(26)11-8-17-6-4-3-5-7-17/h3-7,9-10,16H,2,8,11-15H2,1H3,(H,23,26)
PubChem CID	2986945
ChEMBL	CHEMBL255169
IUPHAR	N/A
BindingDB	50373834
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	70000.0 nM	PMID18178088	BindingDB,ChEMBL

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