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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

NameCHEMBL458722
Molecular formulaC26H38N2
IUPAC nameN-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]-N-propylpropan-1-amine
Molecular weight378.604
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.3
SynonymsBDBM50412454
Inchi KeyADEZXGOTOXTWTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H38N2/c1-3-17-28(18-4-2)22-24-10-14-26(15-11-24)25-12-8-23(9-13-25)16-21-27-19-6-5-7-20-27/h8-15H,3-7,16-22H2,1-2H3
PubChem CID44588350
ChEMBLCHEMBL458722
IUPHARN/A
BindingDB50412454
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki3.89 nMPMID18976927BindingDB,ChEMBL
pKb8.82 -PMID18976927ChEMBL

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