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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

NameCHEMBL28997
Molecular formulaC18H19FN4
IUPAC name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight310.376
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
Synonyms158984-93-1
SCHEMBL5198745
CTK0E6997
DTXSID80437653
BDBM50099893
[ Show all ]
Inchi KeyHNCAIEASLRMRKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
PubChem CID10267394
ChEMBLCHEMBL28997
IUPHARN/A
BindingDB50099893
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID11378358BindingDB,ChEMBL

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