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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

NameCHEMBL3414838
Molecular formulaC30H34BrFN4O4
IUPAC name4-[(1-benzyl-8-fluoro-4-oxoquinoline-3-carbonyl)amino]butyl-[4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl]-dimethylazanium;bromide
Molecular weight613.528
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyANTDPPIJLQNELK-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33FN4O4.BrH/c1-35(2,18-8-9-19-38-27-15-20-39-33-27)17-7-6-16-32-30(37)25-22-34(21-23-11-4-3-5-12-23)28-24(29(25)36)13-10-14-26(28)31;/h3-5,10-14,22H,6-7,15-21H2,1-2H3;1H
PubChem CID118732888
ChEMBLCHEMBL3414838
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC5057.54 nMPMID25478907ChEMBL
Emax62.0 %PMID25478907ChEMBL
Inhibition18.0 %PMID25478907ChEMBL
Kd151.36 nMPMID25478907ChEMBL
logEmax0.61 -PMID25478907ChEMBL
pEC0.56.04 -PMID25478907ChEMBL
pKA6.64 -PMID25478907ChEMBL
pKb6.92 -PMID25478907ChEMBL

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