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GLASS

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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	trihexyphenidyl
Molecular formula	C20H31NO
IUPAC name	1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
Molecular weight	301.474
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.5
Synonyms	SPBio_002802 AKOS015914081 Trihexane BDBM81462 BSPBio_002930 D09GFL H2264 KBio2_006248 MFCD00599600 (R)-1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol NINDS_000372 1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol Prestwick0_000701 144T116 52-49-3 (hydrochloride) Spectrum4_000369 Apo-trihex (TN) Trihexy BPBio1_000971 Trihexyphenidyle CCG-205200 DB00376 I14-44543 KBioSS_001112 NCGC00016003-03 (s)-trihexyphenidyl NSC12268 1-Piperidinepropanol, .alpha.-cyclohexyl-.alpha.-phenyl- Prestwick3_000701 Sedrena (free base) AB00053559_13 STL300356 Artane Sequels Trihexylphenidyle BRN 0088959 Trihexyphenidylum [INN-Latin] CHEMBL1490 EINECS 205-614-4 KBio2_001112 LS-116010 NCGC00016003-07 1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol # Parkinane retard 119618-EP2298731A1 Spectrum2_000829 AN-23267 Trihexifenidilo Benzhexol Trihexyphenidyl (INN) C07171 D0F5KZ HSDB 3196 KBio3_002150 MolPort-001-783-510 (R)-trihexyphenidyl NSC 12268 1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol (HCl) Prestwick1_000701 40520-25-0 Spectrum5_001465 Artane Trihexylphenedyl BRD-A48180038-003-05-2 Trihexyphenidyle [INN-French] CHEBI:9720 DivK1c_000372 IDI1_000372 L000821 NCGC00016003-04 NSC_5572 1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl- SBI-0051093.P003 SPBio_000757 AC1L1KNB SWR-0342SA BBL024959 Trihexylphenizyl BSPBio_000881 Triphenidyl D08638 GTPL7315 KBio2_003680 MCULE-6065307656 (?)-Benzhexol NCGC00089797-02 1-cyclohexyl-1-phenyl-3-(1-piperidyl)propan-1-ol PMS Trihexyphenidyl 144-11-6 Spectrum3_001375 Apo-Trihex Trihexifenidilo [INN-Spanish] Benzhexolum Trihexyphenidyl [INN:BAN] CAS_58947-95-8 HWHLPVGTWGOCJO-UHFFFAOYSA-N KBioGR_000837 MRF-0000523 (RS)-1-cyclohexyl-1-phenyl-3-(1-piperidyl)propan-1-ol NSC-12268 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol Prestwick2_000701 5-20-02-00231 (Beilstein Handbook Reference) AB00053559 Spectrum_000632 Artane (TN) Trihexylphenidyl BRD-A48180038-003-15-1 Trihexyphenidylum DTXSID4023705 KBio1_000372 Lopac0_001125 NCGC00016003-06 .alpha.-Cyclohexyl-.alpha.-phenyl-1-piperidinepropanol Oprea1_853391 119618-EP2269989A1 SCHEMBL34645 [ Show all ]
Inchi Key	HWHLPVGTWGOCJO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
PubChem CID	5572
ChEMBL	CHEMBL1490
IUPHAR	N/A
BindingDB	81462
DrugBank	DB00376
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	10.0 nM	PMID9873472	BindingDB
IC50	12.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	5.01 nM	PMID1994002	BindingDB
Ki	5.01187 nM	PMID1994002	PDSP
Ki	8.679 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	15.9 nM	PMID1346637	PDSP,BindingDB
Ki	676.08 nM	PMID1994002	BindingDB
Ki	676.083 nM	PMID1994002	PDSP

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