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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesGallus gallus (Chicken)
GeneCHRM4
SynonymN/A
DiseaseN/A for non-human GPCRs
Length490
Amino acid sequenceMHNLSAQPWQAKMANLTYDNVTLSNRSEVAIQPPTNYKTVELVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGVFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWILSFILWAPAILFWQFIVGKRTVHERECYIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVRRHKPESRKERKGKSLSFFKAPPVKQNNNNSPKRAVEVKEEVRNGKVDDQPSAQTEATGQQEEKETSNESSTVSMTQTTKDKPTTEILPAGQGQSPAHPRVNPTSKWSKIKIVTKQTGTESVTAIEIVPAKAGASDHNSLSNSRPANVARKFASIARSQVRKKRQMAAREKKVTRTIFAILLAFILTWTPYNVMVLINTFCETCVPETVWSIGYWLCYVNSTINPACYALCNATFKKTFKHLLMCQYRNIGTAR
UniProtP17200
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

NameHimbacine
Molecular formulaC22H35NO2
IUPAC name(3R,4R,4aS,8aR)-4-[(E)-2-[(2S,6S)-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
SynonymsCHEMBL59421
BDBM50071173
(3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyFMPNFDSPHNUFOS-FIUWNGRQSA-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/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1
PubChem CID44302812
ChEMBLN/A
IUPHARN/A
BindingDB50071173
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki6.31 nMPMID2250662BindingDB

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