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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

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	4'-Fluor-4-(4-methylpiperidino)-butyrophenone AKOS005899956 CAS-3575-80-2 DKMFBWQBDIGMHM-UHFFFAOYSA-N FLUBUPERONE Melperona methylperon NE31664 Z138288808 4-Fluoro-\|A-(4-methylpiperidino)butyrophenone BRD-K92984783-003-02-4 CHEMBL1531134 DSSTox_RID_76964 L000772 Melperone (INN) Metylperonum PDSP2_000836 AC1Q4NIX Buronil FG 5111 melperon Melperonum NCGC00167744-01 Tox21_112583_1 1622-79-3 (hydrochloride) 4'-Fluor-4-(4-methylpiperidino)butyrophenon BDBM81771 CAS_3575-80-2 DSSTox_CID_3298 FT-0670987 Melperona [INN-Spanish] Methylperone NSC_15387 ZINC1672 Bunil 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 AJ-08065 C16H22FNO DB09224 FG-5111 melperon FG 5111 Melperonum [INN-Latin] NCGC00167744-02 UNII-J8WA3K39B7 3575-80-2 4'-Fluoro-4-(4-methylpiperidino)butyrophenone BRD-K92984783-003-01-6 CHEBI:93626 DSSTox_GSID_23298 J8WA3K39B7 Metylperon PDSP1_000849 AC1L25SI Bunil (TN) 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 [ 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	<10000.0 nM	PMID1346637	PDSP,BindingDB

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