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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Gallus gallus (Chicken)
Gene	CHRM4
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	490
Amino acid sequence	MHNLSAQPWQAKMANLTYDNVTLSNRSEVAIQPPTNYKTVELVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGVFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWILSFILWAPAILFWQFIVGKRTVHERECYIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVRRHKPESRKERKGKSLSFFKAPPVKQNNNNSPKRAVEVKEEVRNGKVDDQPSAQTEATGQQEEKETSNESSTVSMTQTTKDKPTTEILPAGQGQSPAHPRVNPTSKWSKIKIVTKQTGTESVTAIEIVPAKAGASDHNSLSNSRPANVARKFASIARSQVRKKRQMAAREKKVTRTIFAILLAFILTWTPYNVMVLINTFCETCVPETVWSIGYWLCYVNSTINPACYALCNATFKKTFKHLLMCQYRNIGTAR
UniProt	P17200
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	N/A
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	2,2-Diphenylpropionic acid 2-diethylaminoethyl ester BDBM50005685 D0P1FJ MCULE-3053971242 SR-01000883700-1 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 Tox21_111979_1 .alpha.,.alpha.-Diphenylpropionic acid 2-diethylaminoethyl ester 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 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 2,2-diphenylpropanoic acid N,N-diethylaminoethyl ester 4-09-00-02535 (Beilstein Handbook Reference) Aprofen Aprophenum CHEMBL26505 LS-124652 SR-01000883700 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 .alpha.,.alpha.-Diphenylpropionic acid .beta.-diethylaminoethyl ester 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 ZINC2003680 [ 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	5.5 nM	PMID2250662	BindingDB

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