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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	Aprofene
Molecular formula	C21H27NO2
IUPAC name	2-(diethylamino)ethyl 2,2-diphenylpropanoate
Molecular weight	325.452
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.8
Synonyms	UNII-PL791XXJ7B .alpha.-Methyl-.alpha.-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester 2-Diethylaminoethyl 2,2-diphenylpropionate alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester Aprofenum BRN 2509326 DSSTox_RID_81519 PL791XXJ7B 2,2-diphenylpropanoic acid N,N-diethylaminoethyl ester 4-09-00-02535 (Beilstein Handbook Reference) Aprofen Aprophenum CHEMBL26505 LS-124652 SR-01000883700 .alpha.,.alpha.-Diphenylpropionic acid .beta.-diethylaminoethyl ester 2-(Diethylamino)ethyl 2,2-diphenylpropanoate # AKOS003658410 Aprofeno Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester (9CI) DSSTox_CID_26294 NCGC00160676-01 Tox21_111979 ZINC2003680 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester 2589-00-6 (hydrochloride) alpha-Methyl-alpha-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester Aprofenum [INN-Latin] CAS-3563-01-7 DTXSID8046294 Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester 2,2-Diphenylpropionic acid 2-diethylaminoethyl ester BDBM50005685 D0P1FJ MCULE-3053971242 SR-01000883700-1 Tox21_111979_1 .alpha.,.alpha.-Diphenylpropionic acid 2-diethylaminoethyl ester 2-diethylaminoethyl 2,2-diphenylpropanoate alpha,alpha-Diphenylpropionic acid 2-diethylaminoethyl ester Aprofeno [INN-Spanish] BRD-K48282247-001-01-4 DSSTox_GSID_46294 NCGC00160676-02 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester(Aprophen) 3563-01-7 API0015885 Aprophen L000719 SCHEMBL2354824 2-(Diethylamino)ethyl 2,2-diphenylpropanoate AC1L2FLD Aprofene [INN] Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester DIDYGLSKVUKRRP-UHFFFAOYSA-N MolPort-001-783-504 STK182867 [ Show all ]
Inchi Key	DIDYGLSKVUKRRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
PubChem CID	71128
ChEMBL	CHEMBL26505
IUPHAR	N/A
BindingDB	50005685
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	3.39 nM	PMID2250662	BindingDB

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