Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	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
	N/A	N/A	DrugBank
IC50	5.478 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	6.7 nM	PMID9873472	BindingDB
Ki	0.764 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.83 nM	PMID1994002	BindingDB
Ki	0.831764 nM	PMID1994002	PDSP
Ki	2.6 nM	PMID1346637	PDSP,BindingDB
Ki	269.15 nM	PMID1994002	BindingDB
Ki	269.153 nM	PMID1994002	PDSP

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417