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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

NameCHEMBL3329755
Molecular formulaC23H25F3N4O3S
IUPAC nameN-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
Molecular weight494.533
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.4
SynonymsVU0481443-3
ML-380
BDBM50023229
D0Z6VT
ML380
[ Show all ]
Inchi KeyFJPQEOQGIZSLES-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
PubChem CID71737672
ChEMBLCHEMBL3329755
IUPHAR8687
BindingDB50023229
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
%max67.0 %PMID25147929ChEMBL
EC502100.0 nMPMID25147929BindingDB,ChEMBL

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