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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

NameSCHEMBL741284
Molecular formulaC51H56N6O7
IUPAC name[1-[3-[5-[[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]methylcarbamoyl]-N,2-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight865.044
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP6.0
SynonymsUS8551978, I-45
CHEMBL3645310
US8816088, I-45
BDBM103775
Inchi KeyAQCSPCSXGOHDCK-LYMXURKRSA-N
Inchi IDInChI=1S/C51H56N6O7/c1-33-16-17-38(50(62)53-31-36-11-9-10-35(29-36)28-34(2)52-32-46(59)41-18-20-45(58)49-42(41)19-21-47(60)55-49)30-44(33)56(3)48(61)24-27-57-25-22-39(23-26-57)64-51(63)54-43-15-8-7-14-40(43)37-12-5-4-6-13-37/h4-21,29-30,34,39,46,52,58-59H,22-28,31-32H2,1-3H3,(H,53,62)(H,54,63)(H,55,60)/t34?,46-/m0/s1
PubChem CID59548136
ChEMBLCHEMBL3645310
IUPHARN/A
BindingDB103775
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.2 nM, NoneBindingDB,ChEMBL
Ki0.2 nMN/ABindingDB

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