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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	piperidolate
Molecular formula	C21H25NO2
IUPAC name	(1-ethylpiperidin-3-yl) 2,2-diphenylacetate
Molecular weight	323.436
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.4
Synonyms	Dactil KB-218859 KS-00000GXH NINDS_000112 Piperidolatum [INN-Latin] (1-ethyl-3-piperidyl) 2,2-diphenylacetate SPBio_002935 2,2-diphenylacetic acid (1-ethyl-3-piperidinyl) ester AC1L1J2K Benzeneacetic acid, .alpha.-phenyl-, 1-ethyl-3-piperidinyl ester BSPBio_001010 DTXSID7048164 KBio2_004431 LS-11939 Piperidolate (INN) Prestwick2_001055 1-Ethyl-3-piperidyl diphenylacetate Spectrum4_000737 3-Piperidinol, 1-ethyl-, diphenylacetate (ester) AKOS016013077 Benzeneacetic acid,.alpha.-phenyl-, 1-ethyl-3-piperidinyl ester CAS_82-98-4 IDI1_000112 KBioGR_001034 NCGC00178395-01 Piperidolato [INN-Spanish] SCHEMBL249131 1087 A.N. AB00053633 AX8148240 BRD-A97479839-003-08-3 CS-4447 Diphenylacetic acid, 1-ethyl-3-piperidyl ester KBio1_000112 KTHVBAZBLKXIHZ-UHFFFAOYSA-N NSC_4839 Prestwick0_001055 (1-ethylpiperidin-3-yl) 2,2-diphenylacetate Spectrum2_001073 2822AC ACETIC ACID, DIPHENYL-, 1-ETHYL-3-PIPERIDYL ESTER Benzeneacetic acid, alpha-phenyl-, 1-ethyl-3-piperidinyl ester BSPBio_002908 EINECS 201-449-7 KBio2_006999 MolPort-004-964-841 Piperidolate [INN:BAN] Prestwick3_001055 1-Ethylpiperidin-3-yl 2,2-diphenylacetate Spectrum5_001067 82-98-4 AN 1087 BPBio1_001112 CHEBI:91986 JB 305 KBioSS_001863 NCGC00178395-02 Piperidolatum SPBio_001086 129-77-1 (hydrochloride) AB00053633_07 BDBM82378 BRN 0031110 D08382 DivK1c_000112 KBio2_001863 L001277 Prestwick1_001055 1-Ethyl-3-piperidinyl diphenylacetate # Spectrum3_001524 3-Piperidinol, 1-ethyl-, diphenylacetate AK126005 Benzeneacetic acid, alpha-phenyl-, 1-ethyl-3-piperidinyl ester (9CI) C21H25NO2 HY-B0962A KBio3_002408 N-Ethyl-3-piperidyl diphenylacetate Piperidolato SBI-0051738.P002 1087 A.N Spectrum_001383 API0019474 BRD-A97479839-003-05-9 CHEMBL1623992 [ Show all ]
Inchi Key	KTHVBAZBLKXIHZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
PubChem CID	4839
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82378
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	154.88 nM	PMID2250662	BindingDB

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