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GPCR

NameMuscarinic acetylcholine receptor M2
SpeciesHomo sapiens (Human)
GeneCHRM2
Synonymcholinergic receptor
AChR M2
M2 muscarinic acetylcholine receptor
M2 receptor
Chrm-2
[ Show all ]
DiseaseUrinary incontinence
Heart failure
Nausea; Addiction
Parkinson's disease
Peptic ulcer
[ Show all ]
Length466
Amino acid sequenceMNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProtP08172
Protein Data Bank5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod modelP08172
3D structure modelThis structure is from PDB ID 5zkc.
BioLiPBL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target DatabaseT46185
ChEMBLCHEMBL211
IUPHAR14
DrugBankBE0000560

Ligand

NameCEP-11981
Molecular formulaC28H27N7O
IUPAC name19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
Molecular weight477.572
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsCEP 11981
GTPL8189
4H-Indazolo(5,4-a)pyrrolo(3,4-C)carbazol-4-one, 2,5,6,11,12,13-hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)-
UNII-J8AY0Z4CBP
BDBM50379186
[ Show all ]
Inchi KeyAEULIVPVIDOLIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
PubChem CID11751922
ChEMBLCHEMBL2010872
IUPHARN/A
BindingDB50379186
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition80.0 %PMID22148921ChEMBL

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