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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

NameCHEMBL27545
Molecular formulaC26H34N2O3
IUPAC name(4-methylpiperidin-1-yl)-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methanone
Molecular weight422.569
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50222966
Inchi KeyAMLBLZKKHJTHSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2O3/c1-21-11-14-28(15-12-21)26(29)24-5-3-22(4-6-24)23-7-9-25(10-8-23)31-18-2-13-27-16-19-30-20-17-27/h3-10,21H,2,11-20H2,1H3
PubChem CID44275830
ChEMBLCHEMBL27545
IUPHARN/A
BindingDB50222966
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nMPMID12657274BindingDB
Ki23.44 nMPMID12657274ChEMBL

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