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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

NameCHEMBL1202234
Molecular formulaC29H31BrN2O2
IUPAC name(4aR,5aS,8aS,13aS,15aS,15bR)-6-(2-phenylethyl)-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;bromide
Molecular weight519.483
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogPNone
SynonymsN-Phenylethyl Strychnine Bromide
Inchi KeyBLDWBPZYUVTXRR-DBYHAXBSSA-M
Inchi IDInChI=1S/C29H31N2O2.BrH/c32-26-17-24-27-21-16-25-29(22-8-4-5-9-23(22)30(26)28(27)29)12-14-31(25,18-20(21)11-15-33-24)13-10-19-6-2-1-3-7-19;/h1-9,11,21,24-25,27-28H,10,12-18H2;1H/q+1;/p-1/t21-,24-,25-,27-,28-,29+,31?;/m0./s1
PubChem CID10529938
ChEMBLCHEMBL1202234
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Affinity4.6 -PMID9986715ChEMBL
Affinity4.8 -PMID9986715ChEMBL
Cooperativity>0.2 -PMID9986715ChEMBL
Cooperativity0.8 -PMID9986715ChEMBL

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