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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

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	NCGC00163219-01 P. V. Carbachol SR-01000075312 Tox21_112029_1 MolPort-003-666-136 Carbamiotin Carbastat intraocular 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 NCGC00093705-01 NSC 32865 Rilentol SR-01000075312-6 Vasoperif MFCD00012011 Carbamoylcholine chloride, 99% Carbocholine 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 NCGC00093705-04 NSC32865 SMR000058584 TL 457 Mistura C Carbamylcholine chloride (2-Hydroxyethyl)trimethyl ammonium chloride carbamate 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 NCGC00260928-01 Pharmakon1600-01500158 SR-01000075312-1 Tox21_500243 Moryl Carbamoylcholine (chloride) Carbochol .gamma.-Carbamoyl choline chloride 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 NCGC00093705-02 NSC-32865 SBB057998 ST51007309 WLN: ZVO2K1&1&1 &Q &G Miostat Carbamoylcholine chloride, >=98% (titration), crystalline (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) Carbyl 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] NCGC00093705-05 NSC755919 SPECTRUM1500158 Tox21_112029 MLS002153502 Carbaminoylcholine chloride Carbamylcholine chloride, 99% (2-Hydroxyethyl)trimethylammonium chloride carbamate 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] NCGC00015237-07 NE31544 Prestwick_1036 SR-01000075312-3 UNII-8Y164V895Y Carbamoylcholine chloride Carbocholin 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 NCGC00093705-03 NSC-755919 SCHEMBL2791 SW197107-3 Z1551429748 Miostat (TN) Carbamoylcholine-hydrochloride (2-Carbamoyloxyethyl)trimethylammonium chloride Carcholin 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 [ 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
	N/A	N/A	DrugBank
Activity	17.0 /s	PMID20716489	ChEMBL
Activity	1500.0 %	PMID13678406	ChEMBL
CCh	100.0 %	Bioorg. Med. Chem. Lett., (1992) 2:8:821, Bioorg. Med. Chem. Lett., (1995) 5:6:637	ChEMBL
EC50	250.0 nM	PMID22329602	ChEMBL
EC50	3162.28 nM	PMID13678406	ChEMBL
EC50	3811.0 nM	PMID9873644	ChEMBL
EC50	4600.0 nM	PMID10354408, PMID7783150	ChEMBL
EC50	5011.87 nM	PMID17149881	ChEMBL
EC50	5690.0 nM	Bioorg. Med. Chem. Lett., (1992) 2:8:821	ChEMBL
EC50	13000.0 nM	PMID11741475	ChEMBL
EC50	15848.9 nM	PMID17149881	ChEMBL
EC50	33500.0 nM	PMID20716489	ChEMBL
EC50	130000.0 nM	PMID11741475	ChEMBL
EC50	1.99526e+13 nM	PMID17084634	ChEMBL
ED50	4.7 uM	PMID9651157	ChEMBL
ED50	1210.0 nM	Bioorg. Med. Chem. Lett., (1995) 5:6:637	ChEMBL
ED50	6500.0 nM	PMID9651157	ChEMBL
IC50	4090.0 nM	PMID9651157	ChEMBL
IC50	10000.0 nM	PMID9873472	ChEMBL
IC50	124830.0 nM	Bioorg. Med. Chem. Lett., (1992) 2:8:821	ChEMBL
IC50	150000.0 nM	PMID9435896	ChEMBL
Inhibition	2.0 %	PMID10891110	ChEMBL
Inhibition	5.0 %	PMID9622546	ChEMBL
Intrinsic activity	1.0 -	PMID17084634	ChEMBL
Ki	12.0 nM	PMID12747793	PDSP
Ki	29.0 nM	PMID1704434	PDSP
Ki	170.0 nM	PMID10891110	ChEMBL
Ki	3162.28 nM	PMID17149881, PMID13678406	ChEMBL
Ki	12000.0 nM	PMID12747793	ChEMBL
Ki	12022.6 nM	PMID18182302	ChEMBL
Ki	20000.0 nM	PMID11741475	ChEMBL
Ki	38018.9 nM	PMID24980056, PMID18543900, PMID19896386, PMID16539379, PMID18077164	ChEMBL
Ki	5.01187e+11 nM	PMID17149881	ChEMBL
Max	99.0 %	PMID10354408	ChEMBL
Max PI	100.0 %	PMID9873644	ChEMBL
Max PI	102.0 %	PMID9873644	ChEMBL
PI	100.0 %	Bioorg. Med. Chem. Lett., (1995) 5:6:631	ChEMBL
PI metabolism	100.0 %	PMID11741475	ChEMBL
Smax	250.0 %	PMID11741475	ChEMBL
Smax	440.0 %	PMID11741475	ChEMBL
Stimulation	100.0 %	PMID9651157	ChEMBL
TIME	1.631e-05 hr	PMID20716489	ChEMBL

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