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GPCR

NameMuscarinic acetylcholine receptor M3
SpeciesRattus norvegicus (Rat)
GeneChrm3
SynonymM3R
M3 receptor
HM4
Chrm-3
cholinergic receptor, muscarinic 3, cardiac
[ Show all ]
DiseaseN/A for non-human GPCRs
Length589
Amino acid sequenceMTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProtP08483
Protein Data Bank4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4daj.
BioLiPBL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL320
IUPHAR15
DrugBankN/A

Ligand

NameCHEMBL1916229
Molecular formulaC20H27F2N3O3
IUPAC nameethyl 4-[(3R)-3-[(3,4-difluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
Molecular weight395.451
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
SynonymsIJQXDFSCRFNWAM-OAHLLOKOSA-N
(R)-ethyl 3-(3,4-difluorobezamido)-1,4'-bipiperidine-1'-carboxylate
SCHEMBL1619885
BDBM50356974
Inchi KeyIJQXDFSCRFNWAM-OAHLLOKOSA-N
Inchi IDInChI=1S/C20H27F2N3O3/c1-2-28-20(27)24-10-7-16(8-11-24)25-9-3-4-15(13-25)23-19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,23,26)/t15-/m1/s1
PubChem CID57394608
ChEMBLCHEMBL1916229
IUPHARN/A
BindingDB50356974
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID21930376BindingDB,ChEMBL

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