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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

NameCHEMBL209139
Molecular formulaC23H30N2O3S
IUPAC name1-(benzenesulfonyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
Molecular weight414.564
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsSCHEMBL6109532
1-(phenylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
BDBM50186286
Inchi KeyALVOJCHAICRHNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O3S/c26-29(27,22-10-3-1-4-11-22)25-17-7-9-20-12-13-21(19-23(20)25)28-18-8-16-24-14-5-2-6-15-24/h1,3-4,10-13,19H,2,5-9,14-18H2
PubChem CID10364480
ChEMBLCHEMBL209139
IUPHARN/A
BindingDB50186286
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.3 nMPMID16677814BindingDB,ChEMBL

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