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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	4-Damp methiodide
Molecular formula	C21H26INO2
IUPAC name	(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate;iodide
Molecular weight	451.348
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	None
Synonyms	CHEBI:73340 HMS3266E10 N,N-dimethyl-4-(diphenylacetoxy)piperidinium iodide SR-01000075326-1 1,1-dimethyl-4-diphenylacetoxypiperidinium iodide 4-DAMP methyliodide AC1MHZ3P BN0026 D-104 LP00407 Piperidinium, 4-((diphenylacetyl)oxy)-1,1-dimethyl-, iodide 4-((Diphenylacetyl)oxy)-1,1-dimethylpiperidinium iodide 4-DIPHENYLACETOXY-N-METHYL-PIPERIDINE METHIODIDE CCG-221711 HMS2234J07 MLS000859984 SMR000326843 4-DAMP iodide 4-[(Diphenylacetyl)oxy]-1,1-dimethyl-piperidinium iodide HMS3369K06 NCGC00093833-01 SR-01000075326-3 1,1-dimethyl-4-diphenylacetoxypiperidiniumiodide 4-DAMP, >=98% (HPLC) AKOS024458363 C-56134 EU-0100407 LS-173781 REGID_for_CID_3014059 4-(2,2-diphenylacetoxy)-1,1-dimethylpiperidinium iodide 4-Diphenylacetoxy-N-methylpiperidine methiodide CCG-222526 HMS3261A16 MolPort-003-940-940 SR-01000075326 (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate iodide 81405-11-0 (Parent) CHEMBL76897 J-012645 NCGC00261092-01 Tox21_500407 1952-15-4 4-diphenylacetoxy-1,1-dimethylpiperidinium iodide B6317 C21H26NO2.I FT-0742369 MFCD00078564 SCHEMBL3987354 4-DAMP 4-[(2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium iodide [ Show all ]
Inchi Key	WWJHRSCUAQPFQO-UHFFFAOYSA-M
Inchi ID	InChI=1S/C21H26NO2.HI/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-20H,13-16H2,1-2H3;1H/q+1;/p-1
PubChem CID	3014059
ChEMBL	CHEMBL76897
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4.5 nM	PMID23403082	ChEMBL
Inhibition	5.0 %	PMID23403082	ChEMBL
KA	0.021 uM	PMID1379640	ChEMBL
Ki	1.1 nM	PMID23403082	ChEMBL

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