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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Homo sapiens (Human)
Gene	CHRM4
Synonym	HM3 M4 receptor cholinergic receptor Chrm-4 cholinergic receptor, muscarinic 4
Disease	Produce mydriasis and cycloplegia for diagnostic purposes Hypertension Irritable bowel syndrome Moderate and severe psychomotor agitation Mydriasis diagnosis Nausea; Vomiting; Emesis Organophosphate poisoning Overactive bladder disorder; Spasm Parkinson's disease Urinary retention Peptic ulcer Peptic ulcer disease; Irritable bowel syndrome; Pancreatitis; Gastritis Solid tumours Peptic ulcer; Gastrointestinal disease Peptic ulcer; Uveitis Glaucoma Gastrointestinal disease Bronchodilator Poison intoxication Chronic obstructive pulmonary disease Cough Central and peripheral nervous diseases Depression Alzheimer disease Dysuria; Urgency; Nocturia; Suprapubic pain Gastric motility disorder; Spasm Acquired nystagmus [ Show all ]
Length	479
Amino acid sequence	MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08173
Protein Data Bank	5dsg
GPCR-HGmod model	P08173
3D structure model	This structure is from PDB ID 5dsg.
BioLiP	BL0339919,BL0339921, BL0339920
Therapeutic Target Database	T20709, T50918
ChEMBL	CHEMBL1821
IUPHAR	16
DrugBank	BE0000405

Ligand

Name	3-Quinuclidinyl benzilate
Molecular formula	C21H23NO3
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Molecular weight	337.419
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester BZ [anticholinergic] EA-2277 L001186 NSC168347 Ro 2-3308 ( inverted exclamation markA)-Quinuclidinyl \|A-hydroxydiphenylacetate 1-Azabicyclo(2.2.2)octan-3-ol, benzilate 3-Quinuclidinol benzilate 3-quinuclidinyl-benzilate AC1L2LKL benzilic acid 3-quinuclidinylester CS 4030 HGMITUYOCPPQLE-UHFFFAOYSA-N MFCD00055094 QNB [3H]QNB (+/-)-Quinuclidinyl benzilate 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate AKOS027321160 Buzz D0N3BT Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(R)-(-)-(QNB) NSC-168347 R-(-)-3-Quinuclidinyl benzilate (-)-Benzilic acid 3-quinuclidinyl ester 3-Chinuclidylbenzilate 581Q062 Benzeneacetic acid, 1-azabicyclo[2.2.2]oct-3-yl ester GTPL318 LS-32529 NSC170423 SCHEMBL59698 (+/-)-QNB 1-Azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate # 3-Quinuclidinol, benzilate (ester) 3-quinuclidinylbenzilate AC1Q622B Benzilic acid, 3-quinuclidinyl ester CTK1D7037 Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester NCGC00485298-01 quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate [3H]quinuclidinylbenzilate (+/-)-Quinuclidinyl benzilate, powder 1-AZABICYCLO[2.2.2]OCTAN-8-YL 2-HYDROXY-2,2-DI(PHENYL)ACETATE 4478-53-9 BDBM50010096 BZ EA 2277 KB-185192 NSC-173698 R-QUINUCLIDINYL BENZILATE ( inverted exclamation markA)-QNB .beta.-Quinuclidinyl benzilate 3-Oxyquinuclidine benzilate 6581-06-2 Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester CHEMBL12980 GTPL3260 LS-32530 NSC173698 Substance 78 (+/-)-Quinuclidinyl alpha-hydroxydiphenylacetate 1-azabicyclo[2.2.2]oct-8-yl 2-hydroxy-2,2-diphenyl-acetate 3-Quinuclidyl benzilate Agent BZ Benzilic acid, 3-quinuclidinyl ester, (+-)- D02VGM Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(QNB) NSC 173698 R,S-(+/-)-QUINUCLIDINYL BENZILATE (+/-)-Quinuclidinyl-(RS)-alpha-hydroxydiphenylacetate 3-(2,2-Diphenyl-2-hydroxyethanoyloxy)-quinuclidine [ Show all ]
Inchi Key	HGMITUYOCPPQLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
PubChem CID	23056
ChEMBL	CHEMBL12980
IUPHAR	318
BindingDB	50010096
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	0.0316 - 0.2 nM	PMID3443095, PMID11578621	IUPHAR

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