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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

NameCHEMBL9017
Molecular formulaC34H42Br2F6N4O4
IUPAC name3-[1,3-dioxo-5-(trifluoromethyl)isoindol-2-yl]propyl-[6-[3-[1,3-dioxo-5-(trifluoromethyl)isoindol-2-yl]propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
Molecular weight844.532
Hydrogen bond acceptor12
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyDYKQWXFMHIEISU-UHFFFAOYSA-L
Inchi IDInChI=1S/C34H42F6N4O4.2BrH/c1-43(2,19-9-15-41-29(45)25-13-11-23(33(35,36)37)21-27(25)31(41)47)17-7-5-6-8-18-44(3,4)20-10-16-42-30(46)26-14-12-24(34(38,39)40)22-28(26)32(42)48;;/h11-14,21-22H,5-10,15-20H2,1-4H3;2*1H/q+2;;/p-2
PubChem CID10974912
ChEMBLCHEMBL9017
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
-logKa6.37 -PMID12620079ChEMBL
EC50446.68 nMPMID12620079ChEMBL
p alphaKa6.15 -PMID12620079ChEMBL
pAlpha-0.22 -PMID12620079ChEMBL

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