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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	eucatropine
Molecular formula	C17H25NO3
IUPAC name	(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
Molecular weight	291.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.8
Synonyms	UNII-4SPJ105W8E CAS_100-91-4 Eucatropine [INN:BAN] NSC_7534 1,2,2,6-Tetramethyl-4-piperidyl mandelate BDBM82377 DTXSID1048465 Euphthalmine Prestwick2_000794 SCHEMBL132347 2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester BRD-A37942872-003-03-2 Eucatropina [INN-Spanish] n-methyl-b-vinyldiacetonaikamine mandelate (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate AC1L1OZA CHEBI:94371 Eucatropinum Prestwick0_000794 1,2,2,6-tetramethylpiperidin-4-yl 2-hydroxy-2-phenylacetate Benzeneacetic acid, .alpha.-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester EINECS 202-900-0 FT-0712100 Prestwick3_000794 SPBio_002867 4SPJ105W8E BSPBio_000928 NCGC00179372-01 1,2,2,6-Tetramethyl-4-piperidinyl hydroxy(phenyl)acetate # AC1Q60W7 CHEMBL1618660 Eucatropinum [INN-Latin] Prestwick1_000794 100-91-4 BPBio1_001022 Eucatropina L000976 QSAVEGSLJISCDF-UHFFFAOYSA-N [ Show all ]
Inchi Key	QSAVEGSLJISCDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3
PubChem CID	7534
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82377
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	436.52 nM	PMID2250662	BindingDB

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