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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

NameCHEMBL1222594
Molecular formulaC29H33N7
IUPAC name1-[(1-benzyltetrazol-5-yl)-(4-pyridin-2-ylphenyl)methyl]-4-cyclobutyl-1,4-diazepane
Molecular weight479.632
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50325095
SCHEMBL4018269
1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyridin-2-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
Inchi KeyAJZCGKROIWRVES-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-36-29(31-32-33-36)28(35-19-7-18-34(20-21-35)26-10-6-11-26)25-15-13-24(14-16-25)27-12-4-5-17-30-27/h1-5,8-9,12-17,26,28H,6-7,10-11,18-22H2
PubChem CID49864869
ChEMBLCHEMBL1222594
IUPHARN/A
BindingDB50325095
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.9 nMPMID20667729BindingDB,ChEMBL

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