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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

NameCHEMBL280340
Molecular formulaC22H24N2O3
IUPAC name4,5-dimethoxy-11,11-dimethyl-8,17-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2,4,6,12(20),13-hexaen-9-one
Molecular weight364.445
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
Synonyms2,3-Dimethoxy-7,7-dimethyl-6,7,9,10,11,12-hexahydro-5H-4b,11-diazabenzo[a]aceanthrylene-5-one
Inchi KeyBOKGVUFNDGIOAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O3/c1-22(2)10-19(25)24-16-9-18(27-4)17(26-3)8-13(16)20-14-11-23-6-5-12(14)7-15(22)21(20)24/h7-9,23H,5-6,10-11H2,1-4H3
PubChem CID10090178
ChEMBLCHEMBL280340
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
Cooperativity0.8 -PMID11881995ChEMBL
Log 1/M6.37 -PMID11881995ChEMBL
Log 1/M6.67 -PMID11881995ChEMBL

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