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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

NameCHEMBL106247
Molecular formulaC27H35BrN2O
IUPAC name[4-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight483.494
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.3
Synonyms4-[(4-Bromophenyl)methyl]-1''-(2,6-dimethylbenzoyl)-4''-methyl-1,4''-bipiperidine
[4-[4-[(4-bromophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
BDBM50104943
1,4'-Bipiperidine, 4-[(4-bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-
[4-(4-Bromo-benzyl)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-(2,6-dimethyl-phenyl)-methanone
[ Show all ]
Inchi KeyZVCMZXYHBQKEGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
PubChem CID457875
ChEMBLCHEMBL106247
IUPHARN/A
BindingDB50104943
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1323.0 nMPMID12086500BindingDB,ChEMBL

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