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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

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	4-09-00-02535 (Beilstein Handbook Reference) Aprofen Aprophenum CHEMBL26505 LS-124652 SR-01000883700 2,2-diphenylpropanoic acid N,N-diethylaminoethyl ester AKOS003658410 Aprofeno Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester (9CI) DSSTox_CID_26294 NCGC00160676-01 Tox21_111979 .alpha.,.alpha.-Diphenylpropionic acid .beta.-diethylaminoethyl ester 2-(Diethylamino)ethyl 2,2-diphenylpropanoate # 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 ZINC2003680 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester BDBM50005685 D0P1FJ MCULE-3053971242 SR-01000883700-1 2,2-Diphenylpropionic acid 2-diethylaminoethyl ester alpha,alpha-Diphenylpropionic acid 2-diethylaminoethyl ester Aprofeno [INN-Spanish] BRD-K48282247-001-01-4 DSSTox_GSID_46294 NCGC00160676-02 Tox21_111979_1 .alpha.,.alpha.-Diphenylpropionic acid 2-diethylaminoethyl ester 2-diethylaminoethyl 2,2-diphenylpropanoate 3563-01-7 API0015885 Aprophen L000719 SCHEMBL2354824 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester(Aprophen) AC1L2FLD Aprofene [INN] Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester DIDYGLSKVUKRRP-UHFFFAOYSA-N MolPort-001-783-504 STK182867 2-(Diethylamino)ethyl 2,2-diphenylpropanoate 2-Diethylaminoethyl 2,2-diphenylpropionate alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester Aprofenum BRN 2509326 DSSTox_RID_81519 PL791XXJ7B UNII-PL791XXJ7B .alpha.-Methyl-.alpha.-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester [ 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
Kb	3.1 nM	PMID2738887	ChEMBL
Kd	3.162 nM	PMID2738887	ChEMBL
Kd	3.2 nM	PMID2738887	BindingDB
Ki	9.3 nM	PMID1560441	BindingDB,ChEMBL
Ki	107.0 nM	PMID23523385	ChEMBL

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