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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

NameCHEMBL3354075
Molecular formulaC26H42N2O2
IUPAC name1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
Molecular weight414.634
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50030247
Inchi KeyAWEBVNCNTLOVSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
PubChem CID118719928
ChEMBLCHEMBL3354075
IUPHARN/A
BindingDB50030247
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50295.0 nMPMID25275964BindingDB
EC50295.12 nMPMID25275964ChEMBL
EC50245471.0 nMPMID25275964ChEMBL
EC50245471.0 nMPMID25275964BindingDB
Emax0.0 %PMID25275964ChEMBL
Emax22.0 %PMID25275964ChEMBL
Emax50.0 %PMID25275964ChEMBL
IC50489.78 nMPMID25275964ChEMBL
IC50490.0 nMPMID25275964BindingDB
IC5010000.0 nMPMID25275964BindingDB,ChEMBL
IC5019498.0 nMPMID25275964BindingDB
IC5019498.4 nMPMID25275964ChEMBL
Imax56.0 %PMID25275964ChEMBL
Imax73.0 %PMID25275964ChEMBL
Imax91.0 %PMID25275964ChEMBL
Ki281.84 nMPMID25275964ChEMBL
Ki282.0 nMPMID25275964BindingDB

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