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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

NameCHEMBL8518
Molecular formulaC38H50Br2N4O4
IUPAC name3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-[6-[[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
Molecular weight786.65
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyCBUWXPQCZJPYRM-UHFFFAOYSA-L
Inchi IDInChI=1S/C38H50N4O4.2BrH/c1-38(2,26-40-34(43)29-18-9-10-19-30(29)35(40)44)27-42(5,6)24-12-8-7-11-23-41(3,4)25-15-22-39-36(45)31-20-13-16-28-17-14-21-32(33(28)31)37(39)46;;/h9-10,13-14,16-21H,7-8,11-12,15,22-27H2,1-6H3;2*1H/q+2;;/p-2
PubChem CID11104734
ChEMBLCHEMBL8518
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
-logKa7.28 -PMID12620079ChEMBL
EC5052.48 nMPMID12620079ChEMBL
p alpha-0.01 -PMID15771463ChEMBL
p alphaKa7.28 -PMID12620079ChEMBL
pAlpha-0.005 -PMID12620079ChEMBL
pEC50 diss7.28 -PMID15771463ChEMBL
pKA7.28 -PMID15771463ChEMBL

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