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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	AHOUBRCZNHFOSL-UHFFFAOYSA-N
Molecular formula	C19H20FNO3
IUPAC name	3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Molecular weight	329.371
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AKOS004119950 CPD001453706 MolPort-002-507-757 SMR001453706 4-(4-Fluorophenyl)-3-[(1,3-benzodioxole-5-yloxy)methyl]piperidine BDBM86422 HMS3259B15 NSC_43815 3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine 63952-24-9 AC1Q4NP0 CHEBI:94410 MCULE-3717318507 SCHEMBL114238 3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine, (-)-(3S,4R)- AKOS022061199 CTK5E5575 NC00655 STK802065 (-)-(3S,4R)-4-(p-Fluorophenyl)-3-[((3,4-methylenedioxy)phenoxy]methyl]piperidine 4-(4-Fluorophenyl)-3-[(3,4-methylenedioxyphenyl)oxymethyl]piperidine BRD-A62326914-003-06-9 I01-1206 Paroxetine hydrochloride (Salt/Mix) 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine AC1L1IQJ CHEMBL169007 MLS006011860 Seroxat (Salt/Mix) 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine BBL010955 EN300-49845 NCGC00182968-01 4-(4-Fluorophenyl)-3-[(3,4methylenedioxyphenyl)oxymethyl]piperidine AC1Q4M88 CAS_61869-08-7 L001179 SAM002548935 3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine [ Show all ]
Inchi Key	AHOUBRCZNHFOSL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
PubChem CID	4691
ChEMBL	N/A
IUPHAR	N/A
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	72.0 nM	PMID12232544	PDSP
Ki	300.0 nM	PMID8100134	PDSP

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