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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	Cogentinol
Molecular formula	C21H25NO
IUPAC name	3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
Molecular weight	307.437
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.5
Synonyms	NCGC00162087-03 SBI-0050182.P004 STK931885 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane 80677-48-1 BBL033607 CHEBI:94353 EN300-51100 KBioGR_000682 NINDS_000523 Spectrum2_000106 3-diphenylmethoxytropane AC1Q3ZKJ Benzotropine Cogentin (Salt/Mix) KBio1_000523 Lopac0_000194 NCGC00162087-01 Oprea1_754774 Spectrum5_000884 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo- AKOS005661487 CAS_132-17-2 CTK5E8002 KBio2_005614 NCI60_003960 SCHEMBL35389 Tropine benzohydryl ether 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane BDBM86698 CHEMBL116590 GIJXKZJWITVLHI-UHFFFAOYSA-N KBioSS_000478 NK-02 Spectrum3_000316 3.alpha.-(Diphenylmethoxy)-1.alpha.H,5.alpha.H-tropane AC1Q57ZM Benztropinum Cogentine KBio2_000478 MCULE-5276546081 NCGC00162087-02 Pms Benztropine Spectrum_000078 1.alpha.H,5.alpha.H-Tropane, 3.alpha.-(diphenylmethoxy)- 8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, hydrobromide (1:1) Apo-Benztropine CCG-204289 DivK1c_000523 KBio3_001412 NCIOpen2_008292 SPBio_000092 3-diphenylmethoxy-8-methyl-8-azabicyclo[3.2.1]octane AC1L1DGX Benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether # Cobrentin IDI1_000523 L000767 NSC_2344 Spectrum4_000251 (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo)- Akitan BSPBio_001912 KBio2_003046 MolPort-008-334-950 [ Show all ]
Inchi Key	GIJXKZJWITVLHI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
PubChem CID	2344
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86698
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	0.231 nM	PMID1346637	PDSP,BindingDB

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