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	Arecaidine propargyl ester
Molecular formula	C10H13NO2
IUPAC name	prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Molecular weight	179.219
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.5
Synonyms	NCGC00015006-04 2-Propynyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate DTXSID30274358 Lopac-A-140 prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propynyl ester CHEBI:92418 NCGC00015006-02 SPHRJZBOFYIKMC-UHFFFAOYSA-N AC1Q62JO CTK1B6885 NCGC00162072-01 2-Propynyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate # BRD-K23922020-075-01-1 GTPL295 Lopac0_000136 prop-2-ynyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate 35516-99-5 NCGC00015006-03 ZINC25720839 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid, 2-propynyl ester AKOS030566155 D0I9LU NCGC00162072-02 CCG-204231 L000114 NCGC00015006-01 SCHEMBL13184690 AC1L1D7L CHEMBL128365 [ Show all ]
Inchi Key	SPHRJZBOFYIKMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
PubChem CID	2229
ChEMBL	CHEMBL128365
IUPHAR	295
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	977.24 nM	PMID16539379	ChEMBL
Ki	1258.93 nM	PMID9224827	IUPHAR
pD2	5.56 -	PMID16539379	ChEMBL

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