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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	HOMATROPINE
Molecular formula	C16H21NO3
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
Molecular weight	275.348
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.9
Synonyms	Methylhomatropinum NSC_5821 Tropinmandelsaeureester 3alpha-Tropylmandelat alpha-Hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester CTK8D8671 Homotropine NCGC00015489-03 SCHEMBL23970 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate # Benzeneacetic acid, .alpha.-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)- EINECS 201-716-8 LS-158015 Mandelytropeine NSC-60600 Tropine, mandelate 1.alpha.H,5.alpha.H-Tropan-3-.alpha.-ol, mandelate AC1Q625F CCG-204681 Homatropine [BAN] MolPort-001-779-641 Omatropina [DCIT] ZTVIKZXZYLEVOL-UHFFFAOYSA-N (.+/-.)-Homatropine 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-hydroxy-2-phenylacetate AN-15060 DL-Homatropine hydrobromide L000927 Mandelic acid, 3d-tropanyl ester NCGC00162198-01 SR-01000075900-6 (RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat BRN 0087959 Homatropin MCULE-7109134658 NSC60600 Tropine, mandelate (ester) 3.alpha.-Hydroxy-1.alpha.H,5.alpha.H-tropanium mandelate (ester) AKOS005605558 CHEMBL1237117 Homoatropine NCGC00015489-02 SBB057543 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate BDBM82370 DL-Mandelsaeure-tropylester Lopac0_000592 Mandelyltropeine NCI60_004650 STK693930 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester) AC1L1GCH CAS_87-00-3 [ Show all ]
Inchi Key	ZTVIKZXZYLEVOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
PubChem CID	3623
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82370
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	58.88 nM	PMID2250662	BindingDB

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