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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	CHEMBL321808
Molecular formula	C14H19N5O3S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-nitropyridazin-3-amine
Molecular weight	337.398
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.7
Synonyms	BDBM50004659 N-[2-[[5-[(Dimethylamino)methyl]-2-furylmethyl]thio]ethyl]-4-nitro-3-pyridazinamine 142744-34-1 DTXSID10162163 N-(2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-nitro-3-pyridazinamine SCHEMBL909238 3-((2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-4-nitropyridazine JWS-USC-75IX AC1O4Q1O N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-nitropyridazin-3-amine [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(4-nitro-pyridazin-3-yl)-amine 3-Pyridazinamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4-nitro- LS-129495 [ Show all ]
Inchi Key	YSANROTYHBNTDV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19N5O3S/c1-18(2)9-11-3-4-12(22-11)10-23-8-7-15-14-13(19(20)21)5-6-16-17-14/h3-6H,7-10H2,1-2H3,(H,15,17)
PubChem CID	6410685
ChEMBL	CHEMBL321808
IUPHAR	N/A
BindingDB	50004659
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	32.0 %	PMID27769620	ChEMBL

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