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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	MELPERONE
Molecular formula	C16H22FNO
IUPAC name	1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
Molecular weight	263.356
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.3
Synonyms	D05RUM DTXSID0023298 LS-174559 Melperone 1.0 mg/ml in Methanol MolPort-011-942-444 SCHEMBL146287 1-(4-Fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone Bunil C16H22FNO DB09224 FG-5111 melperon FG 5111 Melperonum [INN-Latin] NCGC00167744-02 UNII-J8WA3K39B7 3575-80-2 AJ-08065 CHEBI:93626 DSSTox_GSID_23298 J8WA3K39B7 Metylperon PDSP1_000849 4'-Fluoro-4-(4-methylpiperidino)butyrophenone BRD-K92984783-003-01-6 D07309 EC 609-173-2 M2622 Melperone [INN:BAN:DCF] MRF-0000450 Tox21_112583 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one AC1L25SI Bunil (TN) CAS-3575-80-2 DKMFBWQBDIGMHM-UHFFFAOYSA-N FLUBUPERONE Melperona methylperon NE31664 Z138288808 4'-Fluor-4-(4-methylpiperidino)-butyrophenone AKOS005899956 CHEMBL1531134 DSSTox_RID_76964 L000772 Melperone (INN) Metylperonum PDSP2_000836 4-Fluoro-\|A-(4-methylpiperidino)butyrophenone BRD-K92984783-003-02-4 FG 5111 melperon Melperonum NCGC00167744-01 Tox21_112583_1 1622-79-3 (hydrochloride) AC1Q4NIX Buronil CAS_3575-80-2 DSSTox_CID_3298 FT-0670987 Melperona [INN-Spanish] Methylperone NSC_15387 ZINC1672 4'-Fluor-4-(4-methylpiperidino)butyrophenon BDBM81771 [ Show all ]
Inchi Key	DKMFBWQBDIGMHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
PubChem CID	15387
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81771
DrugBank	DB09224
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4400.0 nM	PMID1346637	PDSP,BindingDB

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