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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 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	Botiacrine
Molecular formula	C20H24N2OS
IUPAC name	S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate
Molecular weight	340.485
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.7
Synonyms	s-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10(9h)-carbothioate BDBM82374 CHEMBL2106109 ZINC1038 10-Acridancarbothioic acid, 9,9-dimethyl-, S-(2-(dimethylamino)ethyl) ester Botiacrino Mo 876 S-(2-(Dimethylamino)ethyl)-9,9-dimethyl-10-acridancarbothioate AC1L2FQD Botiacrinum [INN-Latin] SCHEMBL2110391 032WJR708Q L000986 NSC_71202 4774-53-2 Botiacrino [INN-Spanish] S-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate AC1Q68Y6 CAS_4774-53-2 UNII-032WJR708Q 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(dimethylamino)ethyl) ester Botiacrine [INN] LS-14237 S-(2-(Dimethylamino)ethyl) 9,9-dimethyl-10(9H)-acridinecarbothioate Botiacrinum [ Show all ]
Inchi Key	QXRUCDDVUMKOPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2OS/c1-20(2)15-9-5-7-11-17(15)22(18-12-8-6-10-16(18)20)19(23)24-14-13-21(3)4/h5-12H,13-14H2,1-4H3
PubChem CID	71202
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82374
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	16.6 nM	PMID2250662	BindingDB

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