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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Rattus norvegicus (Rat)
Gene	Chrm3
Synonym	M3R M3 receptor HM4 Chrm-3 cholinergic receptor, muscarinic 3, cardiac cholinergic receptor, muscarinic 3 cholinergic receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	589
Amino acid sequence	MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProt	P08483
Protein Data Bank	4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4daj.
BioLiP	BL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target Database	N/A
ChEMBL	CHEMBL320
IUPHAR	15
DrugBank	N/A

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	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 NCGC00162087-02 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 NCIOpen2_008292 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 NSC_2344 SBI-0050182.P004 STK931885 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane 80677-48-1 BBL033607 CHEBI:94353 EN300-51100 KBioGR_000682 NCGC00162087-03 Spectrum2_000106 3-diphenylmethoxytropane AC1Q3ZKJ Benzotropine Cogentin (Salt/Mix) KBio1_000523 Lopac0_000194 NINDS_000523 Oprea1_754774 Spectrum5_000884 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo- AKOS005661487 CAS_132-17-2 CTK5E8002 KBio2_005614 NCGC00162087-01 SCHEMBL35389 Tropine benzohydryl ether 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane BDBM86698 CHEMBL116590 GIJXKZJWITVLHI-UHFFFAOYSA-N KBioSS_000478 NCI60_003960 Spectrum3_000316 3.alpha.-(Diphenylmethoxy)-1.alpha.H,5.alpha.H-tropane AC1Q57ZM Benztropinum Cogentine KBio2_000478 MCULE-5276546081 NK-02 [ 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	0.71 nM	PMID2250662	BindingDB

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