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GPCR

NameMuscarinic acetylcholine receptor M3
SpeciesHomo sapiens (Human)
GeneCHRM3
Synonymcholinergic receptor
cholinergic receptor, muscarinic 3
cholinergic receptor, muscarinic 3, cardiac
Chrm-3
HM4
[ Show all ]
DiseaseUrinary incontinence
Overactive bladder
Overactive bladder disorder
Postoperative nausea and vomiting
Respiratory disease
[ Show all ]
Length590
Amino acid sequenceMTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
UniProtP20309
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT67684
ChEMBLCHEMBL245
IUPHAR15
DrugBankBE0000045

Ligand

NameCHEMBL513228
Molecular formulaC25H32N4O5
IUPAC nameethyl 4-[[(2S)-1-[(1-ethylpyrrolidin-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
Molecular weight468.554
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50413144
Inchi KeyAMISGKITNKHXTK-IAXKEJLGSA-N
Inchi IDInChI=1S/C25H32N4O5/c1-3-29-14-13-20(16-29)26-23(31)22(15-17-5-11-21(30)12-6-17)28-25(33)27-19-9-7-18(8-10-19)24(32)34-4-2/h5-12,20,22,30H,3-4,13-16H2,1-2H3,(H,26,31)(H2,27,28,33)/t20?,22-/m0/s1
PubChem CID44590166
ChEMBLCHEMBL513228
IUPHARN/A
BindingDB50413144
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50794.33 nMPMID18818072BindingDB,ChEMBL

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