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GPCR

NameHistamine H3 receptor
SpeciesHomo sapiens (Human)
GeneHRH3
SynonymHH3R
H3R
H3 receptor
GPCR97
G-protein coupled receptor 97
DiseaseObese insulin-resistant disorders
Excessive daytime sleepiness
Sleep disorders
Schizophrenia
Pain
[ Show all ]
Length445
Amino acid sequenceMERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProtQ9Y5N1
Protein Data BankN/A
GPCR-HGmod modelQ9Y5N1
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiPN/A
Therapeutic Target DatabaseT64765
ChEMBLCHEMBL264
IUPHAR264
DrugBankBE0000968

Ligand

NameCHEMBL2013044
Molecular formulaC24H36N2O4S
IUPAC name1'-cyclobutyl-6-(1-ethylsulfonylpiperidin-4-yl)oxyspiro[3,4-dihydrochromene-2,4'-piperidine]
Molecular weight448.622
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50379615
SCHEMBL11918578
Inchi KeyALERLARPNYHRKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H36N2O4S/c1-2-31(27,28)26-14-9-21(10-15-26)29-22-6-7-23-19(18-22)8-11-24(30-23)12-16-25(17-13-24)20-4-3-5-20/h6-7,18,20-21H,2-5,8-17H2,1H3
PubChem CID58198951
ChEMBLCHEMBL2013044
IUPHARN/A
BindingDB50379615
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.0 nMPMID22365751BindingDB,ChEMBL

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