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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesHomo sapiens (Human)
GeneCHRM4
SynonymChrm-4
M4 receptor
cholinergic receptor
cholinergic receptor, muscarinic 4
HM3
DiseaseOrganophosphate poisoning
Overactive bladder disorder; Spasm
Parkinson's disease
Peptic ulcer
Peptic ulcer disease; Irritable bowel syndrome; Pancreatitis; Gastritis
[ 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

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
Cooperativity0.8 -PMID11881995ChEMBL
Log 1/M4.54 -PMID11881995ChEMBL
Log 1/M5.14 -PMID11881995ChEMBL

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