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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesBos taurus (Bovine)
GeneCHRM4
SynonymN/A
DiseaseN/A for non-human GPCRs
Length126
Amino acid sequenceMKQSVKKPPPPGDTTVRGELPNGKLEEAPPPVLPPPPRPMADKDTSNESSSGSATQNTKERPPTELSTTEATTPATPAPPLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANV
UniProtP41986
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameAC1L1AYE
Molecular formulaC22H35NO2
IUPAC name4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight345.527
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.0
Synonyms4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CTK6C5169
4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one
NCI60_001923
Inchi KeyFMPNFDSPHNUFOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3
PubChem CID1205
ChEMBLN/A
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
Ki11.74 nMPMID9834968PDSP

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