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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.
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GPCR

Name	Muscarinic acetylcholine receptor M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

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	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) Concerta, Methylin, Ritalin Rubifen DB00422 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 d-methylphenidate HCl SCHEMBL37178 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 Ritaline (Salt/Mix) Daytrana 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 Cotempla XR-ODT Rubifen (TN) 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 Ritalin-SR D02PPN Tsentedrin 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) Ritcher works Daytrana (TN) 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) CS-4657 SBI-0206868.P001 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 Ritaline D04999 [ 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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