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GPCR

NameMuscarinic acetylcholine receptor M2
SpeciesSus scrofa (Pig)
GeneCHRM2
SynonymN/A
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMNNSTNSSNSGLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQEPVSPSLVQGRIVKPNNNNMPGSDEALEHNKIQNGKAPRDAVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIKIVTKTQKSDSCTPANTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProtP06199
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4781
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL323853
Molecular formulaC35H41N7O4
IUPAC nameN-[2-[2-[[3-(1,3-dioxoisoindol-2-yl)propyl-propylamino]methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Molecular weight623.758
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.8
SynonymsN/A
Inchi KeyCDXPXGTXMHDBTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H41N7O4/c1-2-19-39(20-10-22-41-33(44)26-12-3-4-13-27(26)34(41)45)24-25-11-7-8-21-40(25)23-18-37-35(46)42-30-16-6-5-14-28(30)32(43)38-29-15-9-17-36-31(29)42/h3-6,9,12-17,25H,2,7-8,10-11,18-24H2,1H3,(H,37,46)(H,38,43)
PubChem CID10009092
ChEMBLCHEMBL323853
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Emax,diss100.0 %PMID15163212ChEMBL
Palpha1.07 -PMID15163212ChEMBL
pEC0.5,diss6.87 -PMID15163212ChEMBL
pKA5.89 -PMID15163212ChEMBL

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