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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

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	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 Sedrena (free base) AB00053559_13 STL300356 Artane Sequels Trihexylphenidyle BRN 0088959 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 Spectrum2_000829 AN-23267 Trihexifenidilo Benzhexol Trihexyphenidyl (INN) Trihexyphenidyle [INN-French] CHEBI:9720 DivK1c_000372 IDI1_000372 L000821 NCGC00016003-04 NSC_5572 1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl- SBI-0051093.P003 Spectrum5_001465 Artane Trihexylphenedyl BRD-A48180038-003-05-2 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 SPBio_000757 AC1L1KNB SWR-0342SA BBL024959 Trihexylphenizyl 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) Spectrum3_001375 Apo-Trihex Trihexifenidilo [INN-Spanish] Benzhexolum Trihexyphenidyl [INN:BAN] Trihexyphenidylum DTXSID4023705 KBio1_000372 Lopac0_001125 NCGC00016003-06 .alpha.-Cyclohexyl-.alpha.-phenyl-1-piperidinepropanol Oprea1_853391 119618-EP2269989A1 SCHEMBL34645 AB00053559 Spectrum_000632 Artane (TN) Trihexylphenidyl BRD-A48180038-003-15-1 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 SPBio_002802 AKOS015914081 Trihexane BDBM81462 Trihexyphenidyle CCG-205200 DB00376 I14-44543 KBioSS_001112 NCGC00016003-03 (s)-trihexyphenidyl NSC12268 1-Piperidinepropanol, .alpha.-cyclohexyl-.alpha.-phenyl- Prestwick3_000701 52-49-3 (hydrochloride) Spectrum4_000369 Apo-trihex (TN) Trihexy BPBio1_000971 [ 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	19.0 nM	PMID9873472	BindingDB
IC50	34.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	7.0 nM	PMID1346637	PDSP,BindingDB
Ki	7.07946 nM	PMID1994002	PDSP
Ki	7.08 nM	PMID1994002	BindingDB
Ki	12.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	489.779 nM	PMID1994002	PDSP
Ki	489.78 nM	PMID1994002	BindingDB

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