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GPCR

NameMuscarinic acetylcholine receptor M5
SpeciesHomo sapiens (Human)
GeneCHRM5
SynonymM5R
M5 receptor
cholinergic receptor
cholinergic receptor, muscarinic 5
DiseaseUrinary incontinence
Colitis
Dysmenorrhea
Irritable bowel syndrome
Myasthenia gravis
[ Show all ]
Length532
Amino acid sequenceMEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProtP08912
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT79961
ChEMBLCHEMBL2035
IUPHAR17
DrugBankBE0000247, BE0004890

Ligand

NameCHEMBL2024331
Molecular formulaC23H33N3O3
IUPAC nameethyl 3-[(3R)-3-[(2-methylbenzoyl)amino]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
Molecular weight399.535
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50382118
SCHEMBL2467359
Inchi KeyAJSHPFXXSLQSKN-NEYBNPPJSA-N
Inchi IDInChI=1S/C23H33N3O3/c1-3-29-23(28)26-18-10-11-19(26)14-20(13-18)25-12-6-8-17(15-25)24-22(27)21-9-5-4-7-16(21)2/h4-5,7,9,17-20H,3,6,8,10-15H2,1-2H3,(H,24,27)/t17-,18?,19?,20?/m1/s1
PubChem CID53385782
ChEMBLCHEMBL2024331
IUPHARN/A
BindingDB50382118
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity62.0 %PMID22507963ChEMBL
EC503700.0 nMPMID22507963BindingDB,ChEMBL

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