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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

NameCHEMBL247267
Molecular formulaC23H33N3O2
IUPAC nameN,N-diethyl-3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propan-1-amine
Molecular weight383.536
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50205652
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
SCHEMBL4720916
Inchi KeyALZTYVXVRZIERJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H33N3O2/c1-5-26(6-2)12-7-13-28-23-14-19-16-25(3)17-22(21(19)15-24-23)18-8-10-20(27-4)11-9-18/h8-11,14-15,22H,5-7,12-13,16-17H2,1-4H3
PubChem CID15983840
ChEMBLCHEMBL247267
IUPHARN/A
BindingDB50205652
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki13.0 nMPMID17307358PDSP,BindingDB,ChEMBL

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