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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Mus musculus (Mouse)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P12657
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3733
IUPHAR	13
DrugBank	N/A

Ligand

Name	carbachol
Molecular formula	C6H15ClN2O2
IUPAC name	2-carbamoyloxyethyl(trimethyl)azanium;chloride
Molecular weight	182.648
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	NSC32865 SMR000058584 TL 457 NCGC00093705-04 CHEBI:3385 2-carbamoyloxyethyl(trimethyl)ammonium chloride Choline, carbamate 31325-EP2299326A1 A828807 DTXSID9022730 C-1770 gamma-Carbamoyl choline chloride Carbachol [INN:BAN:JAN] HMS3714P21 Carbacholine chloride Karbachol [Czech] Carbacol [INN-Spanish] LS-53194 Carbamoylcholine (chloride) Carbochol .gamma.-Carbamoyl choline chloride NCGC00260928-01 Pharmakon1600-01500158 SR-01000075312-1 Tox21_500243 Moryl 2-(carbamoyloxy)-N,N,N-trimethylethan-1-aminium chloride Choline carbamate chloride 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride Choline, chloride, carbamate 31325-EP2308858A1 Doryl (pharmaceutical) AKOS015909565 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1) Carbach HMS2091O17 Carbachol, Pharmaceutical Secondary Standard; Certified Reference Material HY-B1208 Carbacholinum KB-48668 Carbacolo [DCIT] Miostat Carbamoylcholine chloride, >=98% (titration), crystalline (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) Carbyl NSC-32865 SBB057998 ST51007309 WLN: ZVO2K1&1&1 &Q &G NCGC00093705-02 CB 2-(trimethylazaniumyl)ethyl carbamate chloride Choline chloride, carbamoyl- 31325-EP2284157A1 CS-4836 51-83-2 DSSTox_GSID_22730 B7196 EU-0100243 CARBACHOL CHLORIDE HMS3260B08 Carbacholin Jestryl Carbacholum [INN-Latin] Lentine [French] Carbaminoylcholine chloride Carbamylcholine chloride, 99% (2-Hydroxyethyl)trimethylammonium chloride carbamate NSC755919 SPECTRUM1500158 Tox21_112029 MLS002153502 NCGC00093705-05 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride 2-carbamoyloxyethyl(trimethyl)azanium chloride Choline, carbamate, hydrochloride 31325-EP2305652A2 DB00411 AC1L1L8K EINECS 200-127-3 C0596 HMS1570P21 Carbachol [USP:INN:BAN:JAN] HMS502E07 Carbacholini chloridum Karbamoylcholin chlorid Carbacolina MCULE-9644162883 Carbamoylcholine chloride Carbocholin NE31544 Prestwick_1036 SR-01000075312-3 UNII-8Y164V895Y NCGC00015237-07 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride Choline chloride carbamate 31325-EP2274983A1 Choline, chloride, carbamate, hydrochloride 31325-EP2311816A1 Doryl (VAN) AKOS025149486 Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride HMS2097P21 Carbachol, United States Pharmacopeia (USP) Reference Standard I14-31868 Carbacholum Lentin Carbamic acid, ester with choline chloride Miostat (TN) Carbamoylcholine-hydrochloride (2-Carbamoyloxyethyl)trimethylammonium chloride Carcholin NSC-755919 SCHEMBL2791 SW197107-3 Z1551429748 NCGC00093705-03 CCG-38913 2-aminocarbonyloxyethyl(trimethyl)azanium chloride Choline chlorine carbamate 31325-EP2289483A1 D00524 8Y164V895Y DSSTox_RID_76703 C 4382 FT-0623453 Carbachol hydrochloride HMS3372G03 Carbacholine Karbachol Carbacol LP00243 Carbamiotin Carbastat intraocular P. V. Carbachol SR-01000075312 Tox21_112029_1 MolPort-003-666-136 NCGC00163219-01 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride CHEMBL14 2-carbamoyloxyethyl(trimethyl)azanium;chloride Choline, chloride carbamate(ester) 31325-EP2305672A1 Doryl AC1LAVH8 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride C6H15N2O2.Cl HMS1920I15 Carbachol, European Pharmacopoeia (EP) Reference Standard HSDB 6373 Carbacholinium chloratum Karbamoylcholin chlorid [Czech] Carbacolo MFCD00012011 Carbamoylcholine chloride, 99% Carbocholine NSC 32865 Rilentol SR-01000075312-6 Vasoperif NCGC00093705-01 CAS-51-83-2 2-(trimethylamino)ethyl aminooate, chloride Choline chloride, carbamate 31325-EP2277875A2 Coletyl 31325-EP2311817A1 DSSTox_CID_2730 AN-41622 Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1) Carbachol (JAN/USP/INN) HMS2236L04 Carbachol,(S) Isopto Carbachol Carbacholum chloratum Lentine Carbaminocholine chloride Mistura C Carbamylcholine chloride (2-Hydroxyethyl)trimethyl ammonium chloride carbamate [ Show all ]
Inchi Key	AIXAANGOTKPUOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
PubChem CID	5831
ChEMBL	CHEMBL14
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00411
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	40000.0 nM	PMID9111297	ChEMBL
Inhibition	16.5 %	PMID9111297	ChEMBL
Inhibition	83.4 %	PMID9111297	ChEMBL
Inhibition	99.8 %	PMID9111297	ChEMBL
Ki	19.9 nM	PMID9111297	ChEMBL
Ki	37.1 nM	PMID9111297	ChEMBL
Ki	739.0 nM	PMID9111297	ChEMBL
Smax	630.0 %	PMID9111297	ChEMBL

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