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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

NameGenostrychnine
Molecular formulaC21H22N2O3
IUPAC name(4aR,5aS,8aS,13aS,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Molecular weight350.418
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.4
SynonymsStrychnine N-oxide
Strychnine-N-oxide
774C760V46
EINECS 230-656-5
NSC-24951
[ Show all ]
Inchi KeyADTDBAKUQAKBGZ-VXJIXCKJSA-N
Inchi IDInChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1
PubChem CID73393
ChEMBLCHEMBL138585
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
Affinity>3.9 -PMID9986715ChEMBL
Affinity3.9 -PMID9986715ChEMBL
Cooperativity0.8 -PMID9986715ChEMBL
Cooperativity2.0 -PMID9986715ChEMBL

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