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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	methylphenidate
Molecular formula	C14H19NO2
IUPAC name	methyl 2-phenyl-2-piperidin-2-ylacetate
Molecular weight	233.311
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.2
Synonyms	CS-4657 SBI-0206868.P001 DTXSID5023299 Jornay PM (a.k.a. HLD200) Methyl (2-phenyl-2-(2-piperidyl)acetate) Methyl alpha-phenyl-alpha-2-piperidinylacetate Methylin .alpha.-Phenyl-2-piperidineacetic acid methyl ester METHYLPHENIDATE (SEE ALSO: METHYLPHENIDATE HYDROCHLORIDE, CAS 298-59-9, NTPNO 10266-R) AKOS022506757 MethyPatch BRD-A19585813-003-01-7 phenyl-piperidin-2-yl-acetic acid methyl ester Centedrine (Salt/Mix) Ritalin LA (TN) Ritaline D04999 Equasym (TN) Meridil Methyl .alpha.-phenyl-2-piperidine-acetate Methyl phenidyl acetate Methylin ER 2-Piperidineacetic acid, alpha-phenyl-, methyl ester Methylphenidate [INN:BAN] API0008866 Metilfenidato [Italian] Calocain Riphenidate CHEMBL796 Concerta, Methylin, Ritalin Rubifen DB00422 HSDB 3126 Metadate ER methyl 2-phenyl-2-piperidin-2-ylacetate methyl phenyl(piperidin-2-yl)acetate Methylphenidan AB01563134_01 Methylphenidatum [INN-Latin] BDBM50062912 NCI-C56280 Centedrin Ritalin (TN) d-methylphenidate HCl SCHEMBL37178 DUGOZIWVEXMGBE-UHFFFAOYSA-N L001307 Methyl .alpha.-phenyl-.alpha.-(2-piperidyl)acetate methyl alpha-piperid-2-ylphenylacetate Methylin (Salt/Mix) 113-45-1 Methylphenidate (USAN/INN) alpha-Phenyl-2-piperidineacetic acid methyl ester Metilfenidato C 4311 Plimasine Centredin Ritalin SR Ritaline (Salt/Mix) Daytrana FT-0700534 Metadate Methyl .alpha.-phenyl-2-piperidineacetate Methyl phenidylacetate Methylofenidan 298-59-9 (hydrochloride) Methylphenidate [USAN:INN:BAN] Attenta (TN) Motiron (TN) Centedein Ritalin Concerta Cotempla XR-ODT Rubifen (TN) DEA No. 1724 HY-B1091 Metadate ER (TN) Methyl alpha-phenyl-alpha-(2-piperidyl)acetate Methylfenidan AC1L1HJM Methylphenidylacetate hydrochloride Biphentin (TN) Phenidylate Centedrin (Salt/Mix) Ritalin LA Ritalin-SR D02PPN Tsentedrin EINECS 204-028-6 LS-565 Methyl .alpha.-phenyl-.alpha.-2-piperidinylacetate Methyl phenidate Methylin (TN) 2-Piperidineacetic acid, .alpha.-phenyl-, methyl ester Methylphenidate HCl alpha-Phenyl-alpha-(2-piperidyl)acetic acid methyl ester Metilfenidato [INN-Spanish] C07196 PMS-Methylphenidate CHEBI:84276 Ritcher works Daytrana (TN) GTPL7236 Metadate CD Methyl 2-phenyl-2-(piperidin-2-yl)acetate Methyl phenyl(2-piperidinyl)acetate # Methylphen 4311/B Ciba Methylphenidatum BCP18286 NCGC00248587-01 Centedein (Salt/Mix) Ritalin (Salt/Mix) Concerta (TN) [ Show all ]
Inchi Key	DUGOZIWVEXMGBE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
PubChem CID	4158
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	<10000.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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