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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

NameCHEMBL134692
Molecular formulaC39H61N7O4
IUPAC name6-amino-N-methyl-N-[8-[methyl-[6-[[5-oxo-5-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)pentyl]amino]hexanoyl]amino]octyl]hexanamide
Molecular weight691.962
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.0
Synonyms11-(1,12,23-Trioxo-13,22-dimethyl-6,13,22,29-tetraazanonacosane-1-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
BDBM50408532
Inchi KeyHUAYFBQUMUPHRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H61N7O4/c1-44(35(47)23-9-7-14-26-40)30-17-5-3-4-6-18-31-45(2)36(48)24-10-8-15-27-41-28-16-13-25-37(49)46-34-22-12-11-20-32(34)39(50)43-33-21-19-29-42-38(33)46/h11-12,19-22,29,41H,3-10,13-18,23-28,30-31,40H2,1-2H3,(H,43,50)
PubChem CID10770914
ChEMBLCHEMBL134692
IUPHARN/A
BindingDB50408532
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki63.0 nMPMID9767650BindingDB
Ki63.1 nMPMID9767650ChEMBL

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