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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

NameVU10007
Molecular formulaC18H19N3OS
IUPAC name3-amino-4,6-dimethyl-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyridine-2-carboxamide
Molecular weight325.43
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.3
SynonymsZINC61353
AC1LEQT2
D04BBK
(S)-3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate
3-amino-4,6-dimethyl-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyridine-2-carboxamide
[ Show all ]
Inchi KeyMCAYWJFTDPUQKE-LBPRGKRZSA-N
Inchi IDInChI=1S/C18H19N3OS/c1-10-9-11(2)20-18-14(10)15(19)16(23-18)17(22)21-12(3)13-7-5-4-6-8-13/h4-9,12H,19H2,1-3H3,(H,21,22)/t12-/m0/s1
PubChem CID690842
ChEMBLCHEMBL1212991
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition61.6 %PMID18059262ChEMBL

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