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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

NameCHEMBL23620
Molecular formulaC23H23N3O3
IUPAC name4-(morpholine-4-carbonyl)-8,16-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,12(20),13-hexaen-9-one
Molecular weight389.455
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.7
Synonyms2-(Morpholinocarbonyl)-6,7,9,10,11,12-hexahydro-5H-4b,10-diazabenzo[a]aceanthrylene-5-one
Inchi KeyAENGNZMXXWOIGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N3O3/c27-20-4-2-14-11-16-13-24-6-5-17(16)21-18-12-15(1-3-19(18)26(20)22(14)21)23(28)25-7-9-29-10-8-25/h1,3,11-12,24H,2,4-10,13H2
PubChem CID11090400
ChEMBLCHEMBL23620
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Cooperativity<3.0 -PMID11881995ChEMBL
Log 1/M4.71 -PMID11881995ChEMBL
Log 1/M5.21 -PMID11881995ChEMBL

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