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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesHomo sapiens (Human)
GeneCHRM4
SynonymHM3
M4 receptor
cholinergic receptor
Chrm-4
cholinergic receptor, muscarinic 4
DiseaseProduce mydriasis and cycloplegia for diagnostic purposes
Hypertension
Irritable bowel syndrome
Moderate and severe psychomotor agitation
Mydriasis diagnosis
[ Show all ]
Length479
Amino acid sequenceMANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProtP08173
Protein Data Bank5dsg
GPCR-HGmod modelP08173
3D structure modelThis structure is from PDB ID 5dsg.
BioLiPBL0339919,BL0339921, BL0339920
Therapeutic Target DatabaseT20709, T50918
ChEMBLCHEMBL1821
IUPHAR16
DrugBankBE0000405

Ligand

NameCHEMBL1314270
Molecular formulaC20H20Cl2N4OS
IUPAC nameN-(2,5-dichlorophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Molecular weight435.367
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsMLS001079936
BDBM50174723
SMR000709290
HMS3029M10
MolPort-005-728-571
[ Show all ]
Inchi KeyBKQMNYLKLPPLFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20Cl2N4OS/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-9-14(21)3-4-15(16)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
PubChem CID24979170
ChEMBLCHEMBL1314270
IUPHARN/A
BindingDB50174723
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
%max69.0 %PMID27185330ChEMBL
EC503800.0 nMPMID27185330BindingDB,ChEMBL
EC503801.89 nMPMID27185330ChEMBL
EC503802.0 nMPMID27185330BindingDB

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