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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	dicyclomine
Molecular formula	C19H35NO2
IUPAC name	2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
Molecular weight	309.494
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.5
Synonyms	CAS-67-92-5 NCGC00024386-04 Cyclohexanecarboxylic acid, 1-cyclohexyl-, 2-(diethylamino)ethyl ester Prestwick3_000048 Dicicloverina Spectrum2_000590 Dicycloverine (Dicyclomine) (Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester Dilomine (TN) 2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate Dyspas IDI1_000162 AC1Q2ZDW KBioGR_001057 Bentyl hydrochloride LS-56640 BRD-K68507560-003-05-5 NCGC00015368-04 STL356799 [1, 2-(diethylamino)ethyl ester, hydrochloride NCGC00015368-07 CHEBI:4514 NSC404381 SBI-0050417.P004 Dicyclomine Hcl Dicycloverinum DivK1c_000162 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Formulex (TN) 856995-49-8 KBio1_000162 Atumin L000680 Bentylol hydrochloride Merbentyl BSPBio_002175 UNII-4KV4X8IF6V [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride C06951 NCGC00016300-01 CURUTKGFNZGFSE-UHFFFAOYSA- Prestwick1_000048 Di-syntramine SPBio_000440 Dicycloverin hydrochloride Dicymine (TN) 1-Cyclohexylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester DSSTox_RID_76790 HMS3604H12 AB00053456_15 KBio2_006550 Bentyl Lopac0_000432 Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl ester NCGC00015368-02 Spectrum_000934 Wyovin hydrochloride CAS-77-19-0 NINDS_000162 D07820 Procyclomin Dicicloverina [INN-Spanish] Spectrum3_000388 Dicycloverine (INN) (BICYCLOHEXYL)-1-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE Diocyl 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate EINECS 201-009-4 67-92-5 (hydrochloride) InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3 AC1Q2ZDX KBioSS_001414 Bentylol Mamiesan BRD-K68507560-003-15-4 NCGC00015368-05 Tox21_113571 [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester NCGC00015368-08 Oxityl-P DB00804 SCHEMBL3317 Dicyclomine [INN] Dicycloverinum [INN-Latin] .beta.-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride DSSTox_CID_2926 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride GTPL355 AB00053456 KBio2_001414 BDBM50010101 Lomine (TN) beta-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride Merbentyl (TN) Byclomine Spectrum4_000509 WLN: L6TJ A- AL6TJ AVO2N2&2 &GH C19H35NO2 NCGC00024386-03 CURUTKGFNZGFSE-UHFFFAOYSA-N Prestwick2_000048 Dibent (TN) SPBio_002096 Dicycloverine (1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester Diethylaminocarbethoxybicyclohexyl hydrochloride 104959-55-9 DTXSID1022926 4KV4X8IF6V HSDB 3058 AC1L1F1K KBio3_001395 Bentyl (TN) LS-177325 BPBio1_000193 NCGC00015368-03 ST45026134 ZINC1530613 NCGC00015368-06 CCG-204524 NSC-404381 D07XJM Sawamin Dicycloverine [INN:BAN] (Bicyclohexyl)-1-carboxylic acid, hydrochloride Diocyl hydrochloride 2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate Formulex 77-19-0 J.L. 998 AKOS022107181 Kolantyl hydrochloride Bentylol (TN) MCULE-9110194493 BSPBio_000175 Tox21_113571_1 [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester NCGC00015368-11 CHEMBL1123 Prestwick0_000048 Di-Spaz (TN) Spasmoban Dicycloverin Dicymine .beta.-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride DSSTox_GSID_22926 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate GU8471000 AB00053456_14 KBio2_003982 Bentomine Lopac-D-7909 Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester NCGC00015368-01 Byclomine (TN) Spectrum5_000873 Wyovin [ Show all ]
Inchi Key	CURUTKGFNZGFSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PubChem CID	3042
ChEMBL	CHEMBL1123
IUPHAR	355
BindingDB	50010101
DrugBank	DB00804
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.947 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.411 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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