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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

NameCHEMBL33656
Molecular formulaC23H24Cl2N4O2+2
IUPAC name(E)-1-[1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]-N-methoxymethanimine
Molecular weight459.371
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50041518
4-((E)-{[(2,6-dichlorobenzyl)oxy]imino}methyl)-1-propyl-3yl-(4-(Methoxyimino-methyl)-pyridinium)pyridinium
Inchi KeyIBRSSKUPVHTLLN-CTVDDJEBSA-N
Inchi IDInChI=1S/C23H24Cl2N4O2/c1-30-26-16-19-6-12-28(13-7-19)10-3-11-29-14-8-20(9-15-29)17-27-31-18-21-22(24)4-2-5-23(21)25/h2,4-9,12-17H,3,10-11,18H2,1H3/q+2/b26-16+,27-17+
PubChem CID10077592
ChEMBLCHEMBL33656
IUPHARN/A
BindingDB50041518
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC504500.0 nMPMID8182702BindingDB,ChEMBL
nH1.2 -PMID8182702ChEMBL

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