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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	dicyclomine
Molecular formula	C19H35NO2
IUPAC name	2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
Molecular weight	309.494
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.5
Synonyms	D07820 Procyclomin Dicicloverina [INN-Spanish] Spectrum3_000388 Dicycloverine (INN) (BICYCLOHEXYL)-1-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE Diocyl 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate EINECS 201-009-4 67-92-5 (hydrochloride) InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3 AC1Q2ZDX KBioSS_001414 Bentylol Mamiesan BRD-K68507560-003-15-4 NCGC00015368-05 CAS-77-19-0 NINDS_000162 [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester Tox21_113571 Oxityl-P DB00804 SCHEMBL3317 Dicyclomine [INN] Dicycloverinum [INN-Latin] .beta.-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride DSSTox_CID_2926 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride GTPL355 AB00053456 KBio2_001414 BDBM50010101 Lomine (TN) beta-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride Merbentyl (TN) Byclomine NCGC00015368-08 WLN: L6TJ A- AL6TJ AVO2N2&2 &GH Spectrum4_000509 Prestwick2_000048 Dibent (TN) SPBio_002096 Dicycloverine (1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester Diethylaminocarbethoxybicyclohexyl hydrochloride 104959-55-9 DTXSID1022926 4KV4X8IF6V HSDB 3058 AC1L1F1K KBio3_001395 Bentyl (TN) LS-177325 BPBio1_000193 NCGC00015368-03 C19H35NO2 NCGC00024386-03 CURUTKGFNZGFSE-UHFFFAOYSA-N ZINC1530613 ST45026134 D07XJM Sawamin Dicycloverine [INN:BAN] (Bicyclohexyl)-1-carboxylic acid, hydrochloride Diocyl hydrochloride 2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate Formulex 77-19-0 J.L. 998 AKOS022107181 Kolantyl hydrochloride Bentylol (TN) MCULE-9110194493 BSPBio_000175 NCGC00015368-06 CCG-204524 NSC-404381 [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester Tox21_113571_1 Prestwick0_000048 Di-Spaz (TN) Spasmoban Dicycloverin Dicymine .beta.-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride DSSTox_GSID_22926 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate GU8471000 AB00053456_14 KBio2_003982 Bentomine Lopac-D-7909 Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester NCGC00015368-01 Byclomine (TN) NCGC00015368-11 CHEMBL1123 Wyovin Spectrum5_000873 Cyclohexanecarboxylic acid, 1-cyclohexyl-, 2-(diethylamino)ethyl ester Prestwick3_000048 Dicicloverina Spectrum2_000590 Dicycloverine (Dicyclomine) (Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester Dilomine (TN) 2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate Dyspas IDI1_000162 AC1Q2ZDW KBioGR_001057 Bentyl hydrochloride LS-56640 BRD-K68507560-003-05-5 NCGC00015368-04 CAS-67-92-5 NCGC00024386-04 [1, 2-(diethylamino)ethyl ester, hydrochloride STL356799 SBI-0050417.P004 Dicyclomine Hcl Dicycloverinum DivK1c_000162 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Formulex (TN) 856995-49-8 KBio1_000162 Atumin L000680 Bentylol hydrochloride Merbentyl BSPBio_002175 NCGC00015368-07 CHEBI:4514 NSC404381 UNII-4KV4X8IF6V [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride Prestwick1_000048 Di-syntramine SPBio_000440 Dicycloverin hydrochloride Dicymine (TN) 1-Cyclohexylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester DSSTox_RID_76790 HMS3604H12 AB00053456_15 KBio2_006550 Bentyl Lopac0_000432 Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl ester NCGC00015368-02 C06951 NCGC00016300-01 CURUTKGFNZGFSE-UHFFFAOYSA- Wyovin hydrochloride Spectrum_000934 [ Show all ]
Inchi Key	CURUTKGFNZGFSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PubChem CID	3042
ChEMBL	CHEMBL1123
IUPHAR	355
BindingDB	50010101
DrugBank	DB00804
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.78 nM	PMID2250662	BindingDB

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