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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Rattus norvegicus (Rat)
Gene	Chrm3
Synonym	M3R M3 receptor HM4 Chrm-3 cholinergic receptor, muscarinic 3, cardiac cholinergic receptor, muscarinic 3 cholinergic receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	589
Amino acid sequence	MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProt	P08483
Protein Data Bank	4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4daj.
BioLiP	BL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target Database	N/A
ChEMBL	CHEMBL320
IUPHAR	15
DrugBank	N/A

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	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 SPBio_000757 AC1L1KNB SWR-0342SA 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) Spectrum3_001375 Apo-Trihex 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 AB00053559 Spectrum_000632 Artane (TN) 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 SPBio_002802 AKOS015914081 Trihexane Trihexy BPBio1_000971 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) 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 Sedrena (free base) AB00053559_13 STL300356 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 Spectrum2_000829 AN-23267 Trihexifenidilo 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 Spectrum5_001465 Artane [ 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
Ki	2.95 nM	PMID2250662	BindingDB

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