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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
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	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
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	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	Carbamylcholine
Molecular formula	C6H15N2O2+
IUPAC name	2-carbamoyloxyethyl(trimethyl)azanium
Molecular weight	147.198
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	-0.4
Synonyms	Carbachol USP27 Carbastat (TN) DTXSID0048397 KBio1_000725 Lopac-C-4382 NCGC00015237-01 2-carbamoyloxyethyl(trimethyl)azanium Prestwick0_000880 AB00053795 Spectrum2_000114 BDBM50004656 Carbamoylcholine Carboptic (TN) Choline, carbonate (ester) HMS2089I06 KBio2_005650 LS-187126 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) NCGC00015237-04 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM Prestwick3_000880 AB00053795_10 Spectrum5_000934 BSPBio_001927 Carbachol (JAN/USP/INN) carbamylcholinechloride CCG-204338 D0U7BW Karbachol KBioSS_000514 Miostat (TN) 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium NCGC00163219-01 SPBio_000128 AKOS025247582 UNII-54Z8M50D6Q Carbachol [INN:BAN:JAN] Carbastat intraocular CHEMBL965 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl- KBio2_000514 Lopac0_000243 NCGC00015237-02 2-carbamoyloxyethyl(trimethyl)azanium chloride Prestwick1_000880 AB00053795-08 Spectrum3_000324 BPBio1_001055 C 4382 CARBAMYL-CHOLINE CAS-51-83-2 Choline, chloride, carbamate IDI1_000725 KBio3_001147 MCULE-5642570831 (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-05 SBI-0050231.P004 AC1L1DXK Spectrum_000094 Carbachol hydrochloride Carbastat CHEMBL14 DivK1c_000725 Karbamoylcholin chlorid Lentine MolPort-005-942-293 2-(carbamoyloxy)-N,N,N-trimethylethanaminium NINDS_000725 54Z8M50D6Q SPBio_002880 BC224240 ZINC3079342 Carbacolo Carboptic Choline chloride carbamate GTPL298 KBio2_003082 LS-185872 (2-Carbamoyloxy-ethyl)-trimethyl-ammonium NCGC00015237-03 2-carbamoyloxyethyl-trimethylazanium Prestwick2_000880 AB00053795_09 Spectrum4_000261 BSPBio_000959 C-1770 CCE CTK1D5875 Isopto Carbachol (TN) KBioGR_000722 Miostat 1uv6 NCGC00162103-01 462-58-8 SCHEMBL2792 AC1Q65QH STL371210 [ Show all ]
Inchi Key	VPJXQGSRWJZDOB-UHFFFAOYSA-O
Inchi ID	InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
PubChem CID	2551
ChEMBL	CHEMBL965
IUPHAR	298
BindingDB	50004656
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	650.0 nM	PMID9622546	BindingDB
IC50	1380.0 nM	PMID1613751	BindingDB
IC50	11850.0 nM	PMID1732522	BindingDB
IC50	44370.0 nM	N/A	BindingDB
Ki	<10000.0 nM	PMID1310135, PMID12235229	BindingDB
Ki	31.0 nM	PMID9622546	BindingDB
Ki	640.0 nM	PMID7990109	BindingDB
Ki	5000.0 nM	PMID9622546	BindingDB
Ki	5800.0 nM	PMID8246221	BindingDB
Ki	125893.0 nM	PMID12235229	IUPHAR

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