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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	arecoline
Molecular formula	C8H13NO2
IUPAC name	methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Molecular weight	155.197
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.3
Synonyms	Methylarecaiden ACN-028007 N-Methyltetrahydropyridine-beta-carboxylic acid methyl ester Arecolin NCGC00015075-10 BRD-K88646909-004-05-5 NSC-56321 CAS-300-08-3 SDCCGMLS-0066647.P001 D07EFM Spectrum_000055 EINECS 200-565-5 KBio2_003003 LS-96624 1-Methyl-1,2,5,6-tertrahydro-pyridine-3-carboxylicacid methyl ester methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate 4ALN5933BH MLS000028840 API0006567 NCGC00015075-03 arecoline;hydrobromide NCGC00162053-03 BRN 0123045 Prestwick1_000402 CCRIS 7688 SPBio_002263 DivK1c_000810 Tox21_110079 HJJPJSXJAXAIPN-UHFFFAOYSA-N KBioGR_001299 Methyl 1,2,5, 6-tetrahydro-1-methylnicotinate 1-Methyl-delta(sup 3,4)tetrahydro-3-pyridinecarboxylate methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate AB00053580_08 AC1Q43OG N-Methyltetrahydronicotinic acid, methyl ester Arecholin NCGC00015075-06 BDBM46858 NINDS_000810 C10129 SBI-0050038.P003 CHEMBL7303 Spectrum4_000810 DSSTox_RID_76661 WLN: T6N CUTJ A1 CVO1 KBio1_000810 Lopac-A-6134 1,2,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl-, methyl ester Methyl N-methyl-1,5,6-tetrahydronicotinate Methylarecaidin ACon1_002372 NCGC00015075-01 NCGC00162053-01 BRD-K88646909-004-06-3 NSC56321 CAS-63-75-2 SMR000058258 SR-01000075307-9 FT-0622470 KBio2_005571 MCULE-7085698770 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate 63-75-2 AB00053580_09 N-Methyl-.delta.-tetrahydronicotinic acid methyl ester Arecaidine methyl ester NCGC00015075-04 Arekolin NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER BSPBio_000324 Prestwick2_000402 CHEBI:2814 Spectrum2_000051 DSSTox_CID_2617 Tox21_110079_1 IDI1_000810 KBioSS_000435 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid methyl ester Methyl 1,2,5,6-tetrahydro-1-methylnicotinate Methyl N-methyl-1,2,5, 6-tetrahydronicotinate AC1Q5YXA N-Methyltetrahydropyridine-.beta.-carboxylic acid methyl ester Arecholine NCGC00015075-07 BPBio1_000358 NSC 56321 C8H13NO2 SCHEMBL44065 cid_9301 Spectrum5_001316 DTXSID3022617 ZINC52541469 KBio2_000435 Lopac0_000049 1,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate # Methyl N-methyltetrahydronicotinate Methylarecaidine AKOS000520752 NCGC00015075-02 Arecoline base NCGC00162053-02 BRD-K88646909-004-10-5 Prestwick0_000402 CCG-204145 SPBio_000201 DB04365 ST095172 GTPL296 KBio3_002194 MEGxp0_001891 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester;hydrobromide methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide 7928AF AC1L1D7O N-Methyl-beta -carboxylic acid methyl ester Arecaline NCGC00015075-05 BBL036229 Nicotinic acid,2,5,6-tetrahydro-1-methyl-, methyl ester BSPBio_002974 Prestwick3_000402 Spectrum3_001387 DSSTox_GSID_22617 UNII-4ALN5933BH InChI=1/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H L000795 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid, methyl ester Methyl 1,5,6-tetrahydro-1-methylnicotinate 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester Methyl N-methyl-1,2,5,6-tetrahydronicotinate [ Show all ]
Inchi Key	HJJPJSXJAXAIPN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
PubChem CID	2230
ChEMBL	CHEMBL7303
IUPHAR	296
BindingDB	46858
DrugBank	DB04365
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	5700.0 nM	PMID9622546	BindingDB,ChEMBL

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