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GPCR

NameMuscarinic acetylcholine receptor M1
SpeciesHomo sapiens (Human)
GeneCHRM1
Synonymcholinergic receptor
cholinergic receptor, muscarinic 1
cholinergic receptor, muscarinic 1, CNS
Chrm-1
M1 receptor
[ Show all ]
DiseaseFunctional bowel syndrome; Irritable bowel syndrome
Glaucoma
Peptic ulcer
Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy
Visceral spasms
[ Show all ]
Length460
Amino acid sequenceMNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProtP11229
Protein Data Bank5cxv
GPCR-HGmod modelP11229
3D structure modelThis structure is from PDB ID 5cxv.
BioLiPBL0339262, BL0339261, BL0339263
Therapeutic Target DatabaseT28893
ChEMBLCHEMBL216
IUPHAR13
DrugBankBE0000092

Ligand

Namecarbachol
Molecular formulaC6H15ClN2O2
IUPAC name2-carbamoyloxyethyl(trimethyl)azanium;chloride
Molecular weight182.648
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsNCGC00093705-04
NSC32865
SMR000058584
TL 457
Carbacholinium chloratum
[ Show all ]
Inchi KeyAIXAANGOTKPUOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
PubChem CID5831
ChEMBLCHEMBL14
IUPHARN/A
BindingDBN/A
DrugBankDB00411

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity17.0 /sPMID20716489ChEMBL
Activity1500.0 %PMID13678406ChEMBL
CCh100.0 %Bioorg. Med. Chem. Lett., (1992) 2:8:821, Bioorg. Med. Chem. Lett., (1995) 5:6:637ChEMBL
EC50250.0 nMPMID22329602ChEMBL
EC503162.28 nMPMID13678406ChEMBL
EC503811.0 nMPMID9873644ChEMBL
EC504600.0 nMPMID10354408, PMID7783150ChEMBL
EC505011.87 nMPMID17149881ChEMBL
EC505690.0 nMBioorg. Med. Chem. Lett., (1992) 2:8:821ChEMBL
EC5013000.0 nMPMID11741475ChEMBL
EC5015848.9 nMPMID17149881ChEMBL
EC5033500.0 nMPMID20716489ChEMBL
EC50130000.0 nMPMID11741475ChEMBL
EC501.99526e+13 nMPMID17084634ChEMBL
ED504.7 uMPMID9651157ChEMBL
ED501210.0 nMBioorg. Med. Chem. Lett., (1995) 5:6:637ChEMBL
ED506500.0 nMPMID9651157ChEMBL
IC504090.0 nMPMID9651157ChEMBL
IC5010000.0 nMPMID9873472ChEMBL
IC50124830.0 nMBioorg. Med. Chem. Lett., (1992) 2:8:821ChEMBL
IC50150000.0 nMPMID9435896ChEMBL
Inhibition2.0 %PMID10891110ChEMBL
Inhibition5.0 %PMID9622546ChEMBL
Intrinsic activity1.0 -PMID17084634ChEMBL
Ki12.0 nMPMID12747793PDSP
Ki29.0 nMPMID1704434PDSP
Ki170.0 nMPMID10891110ChEMBL
Ki3162.28 nMPMID17149881, PMID13678406ChEMBL
Ki12000.0 nMPMID12747793ChEMBL
Ki12022.6 nMPMID18182302ChEMBL
Ki20000.0 nMPMID11741475ChEMBL
Ki38018.9 nMPMID24980056, PMID18543900, PMID19896386, PMID16539379, PMID18077164ChEMBL
Ki5.01187e+11 nMPMID17149881ChEMBL
Max99.0 %PMID10354408ChEMBL
Max PI100.0 %PMID9873644ChEMBL
Max PI102.0 %PMID9873644ChEMBL
PI100.0 %Bioorg. Med. Chem. Lett., (1995) 5:6:631ChEMBL
PI metabolism100.0 %PMID11741475ChEMBL
Smax250.0 %PMID11741475ChEMBL
Smax440.0 %PMID11741475ChEMBL
Stimulation100.0 %PMID9651157ChEMBL
TIME1.631e-05 hrPMID20716489ChEMBL

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