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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

NameCHEMBL3978813
Molecular formulaC23H29FN2O
IUPAC nameN-(5-fluoro-2-methylphenoxy)-4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]aniline
Molecular weight368.496
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.2
SynonymsUS9453023, 25
BDBM247466
SCHEMBL16090154
Inchi KeyAHMNSAFIBBXPBS-UYJNAUHUSA-N
Inchi IDInChI=1S/C23H29FN2O/c1-16-5-9-20(24)15-23(16)27-25-21-10-6-18(7-11-21)19-8-12-22(14-19)26-13-3-4-17(26)2/h5-7,9-11,15,17,19,22,25H,3-4,8,12-14H2,1-2H3/t17-,19-,22?/m0/s1
PubChem CID90452853
ChEMBLCHEMBL3978813
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki45.7 nMNoneChEMBL

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