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GLASS

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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	tropicamide
Molecular formula	C17H20N2O2
IUPAC name	N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
Molecular weight	284.359
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.5
Synonyms	AC1L1KOZ KBioSS_001064 AN-15530 Medical Ophthalmics Brand of Tropicamide Benzeneacetamide,N-ethyl-a-(hydroxymethyl)-N-(4-pyridinylmethyl)- Mydriacyl (TN) BRN 0285563 N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide CHEBI:9757 NCGC00016065-05 D00397 NCGC00024866-04 DTXSID8045220 NSC_5593 HMS1921I09 HMS3373B07 IDI1_000448 Tox21_110297 Tropicamide Monofree Tropicamide [USAN:USP:INN:BAN:JAN] Tropicamidum [INN-Latin] Opticyl Prestwick_487 SCHEMBL23975 Spectrum3_000655 SR-01000075351-7 KBio2_001064 AK164485 L001262 BCP13504 MLS001306442 Bistropamide Mydrum Cahill May Roberts Brand of Tropicamide N-Ethyl-N-(4-pyridylmethyl)tropamide Colircusi Tropicamida NCGC00016065-08 DB00809 NCGC00261908-01 Epitromina Ocumed Brand of Tropicamide HMS2095N17 (+-)-N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide HMS501G10 AB00052120_11 Triaminic DM Tropicamide Alcon Brand Tropicamide Novartis Brand Tropicamide, (S)-Isomer Visumidriatic Pharmakon1600-01500599 Ro 1-7683 SPBio_000872 Spectrum_000584 Stulln Brand 1 of Tropicamide AB2000370 KBio3_001509 Alcon Brand of Tropicamide LS-28545 Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)- Mydral BRD-A79672927-001-05-8 N-Ethyl-3-hydroxy-2-phenyl-N-(4-pyridinylmethyl)propanamide # CCG-40076 NCGC00016065-03 CS-2362 NCGC00024866-02 DSSTox_GSID_45220 NSC-757372 GTPL7319 HMS3263F08 5-22-09-00359 (Beilstein Handbook Reference) I-Picamide T 9778 Tropicamida Tropicamide for peak identification, European Pharmacopoeia (EP) Reference Standard Tropicamide Rivex Brand Tropicamide, United States Pharmacopeia (USP) Reference Standard Prestwick2_000228 SAM002564235 SPECTRUM1500599 SR-01000075351-3 K-4793 AC1Q5IFA KS-00000H8Q API0004531 MFCD00058580 BG0349 Mydriafair BSPBio_000275 N-Ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)benzeneacetamide NCGC00016065-06 D09PNY NCGC00024866-05 EBD22886 Ocu Tropic HMS2089M05 HMS3651K04 AB00052120 Tox21_110297_1 Tropicamide (JP15/USP/INN) Tropicamide Monohydrochloride, (R)-Isomer Tropicamide, (+-)-Isomer Tropikamid Paremyd Q-201902 SMP1_000304 Spectrum4_000377 ST51015162 KBio2_003632 Akorn Brand of Tropicamide Lopac0_001223 BDBM82371 MLS002154240 Bournonville Brand of Tropicamide N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide CAS-1508-75-4 n-ethyl-n-(g-picolyl)tropamide component of Paremyd NCGC00016065-09 DivK1c_000448 NINDS_000448 EU-0101223 Ocusoft Brand of Tropicamide HMS2235J15 HY-B0321 AB00052120_12 Stulln Brand 2 of Tropicamide Tropicacyl Tropicamide Chauvin Brand Tropicamide Ocumed Brand Tropicamide, European Pharmacopoeia (EP) Reference Standard Prestwick0_000228 RP29909 SPBio_002196 SR-01000075351 AC-816 KBioGR_000873 AM84467 MCULE-4102613027 Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-, (+-)- Mydriacyl BRD-A79672927-001-10-8 N-ethyl-3-hydroxy-2-phenyl-N-(4-pyridylmethyl)propanamide Chauvin Brand of Tropicamide NCGC00016065-04 CTK4C6796 NCGC00024866-03 DSSTox_RID_80757 NSC757372 HMS1568N17 HMS3267A13 508T754 I06-0811 TL8001101 Tropicamida [INN-Spanish] Tropicamide Minims Tropicamide [USAN:INN:BANJAN] Tropicamidum Prestwick3_000228 SBI-0051190.P003 Spectrum2_000936 SR-01000075351-5 KBio1_000448 ACN-036667 KS-5174 BBL028074 Minims tropicamide BGDKAVGWHJFAGW-UHFFFAOYSA-N Mydriaticum BSPBio_002289 N-Ethyl-N-(4-pyridylmethyl)tropamid CHEMBL1200604 NCGC00016065-07 NCGC00024866-06 EINECS 216-140-2 Ocu-Tropic HMS2092A18 HMS3712N17 AB00052120-10 Tox21_501223 Tropicamide (JP17/USP/INN) Tropicamide Monohydrochloride, (S)-Isomer Tropicamide, (R)-Isomer Tropimil Pharmafair Brand of Tropicamide Rivex Brand of Tropicamide SMR000058523 Spectrum5_001585 STK934612 AB0011259 KBio2_006200 AKOS005664076 LP01223 Benzeneacetamide, N-ethyl-.alpha.-(hydroxymethyl)-N-(4-pyridinylmethyl)- MolPort-000-159-321 BPBio1_000303 N-Ethyl-2-phenyl-N-4-[-pyridyl-methyl]hydracrylamide CAS_1508-75-4 NC00589 CPD000058523 NCGC00016065-11 DSSTox_CID_25220 Novartis Brand of Tropicamide FT-0657590 OcuTropic HMS3259M18 1508-75-4 Hydracrylamide, N-ethyl-2-phenyl-N-(4-pyridylmethyl)- SW196691-3 Tropicamid Tropicamide Faure Tropicamide Pharmafair Brand Tropicamide, solid Prestwick1_000228 s1913 Spectro-Cyl SR-01000075351-1 [ Show all ]
Inchi Key	BGDKAVGWHJFAGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
PubChem CID	5593
ChEMBL	CHEMBL1200604
IUPHAR	N/A
BindingDB	82371
DrugBank	DB00809
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	25.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	3.46737 nM	PMID13679167	PDSP
Ki	3.47 nM	PMID13679167	BindingDB
Ki	3.483 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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