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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesRattus norvegicus (Rat)
GeneChrm4
Synonymcholinergic receptor
cholinergic receptor, muscarinic 4
Chrm-4
HM3
M4 receptor
DiseaseN/A for non-human GPCRs
Length478
Amino acid sequenceMXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProtP08485
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL317
IUPHAR16
DrugBankN/A

Ligand

NameCHEMBL127587
Molecular formulaC18H22INO3
IUPAC name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (E,2R)-2-hydroxy-5-iodo-2-phenylpent-4-enoate
Molecular weight427.282
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
Synonyms(2R,4E)-2-Hydroxy-2-phenyl-5-iodo-4-pentenoic acid 1-azabicyclo[2.2.2]octan-3alpha-yl ester
BDBM50031098
(E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester
Inchi KeyMMUQVFDMUDOFSH-UCPUOCAQSA-N
Inchi IDInChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
PubChem CID10365181
ChEMBLCHEMBL127587
IUPHARN/A
BindingDB50031098
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Kd0.356 nMPMID7562924ChEMBL
Kd0.356 nMPMID7562924BindingDB
Kd2.39 nMPMID7562924ChEMBL
Kd2.4 nMPMID7562924BindingDB

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