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GPCR

NameHistamine H3 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH3
SynonymH3R
HH3R
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMERAPPDGLMNASGALAGEAAAAAGGARTFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGVFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMVLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGAREAGPDPLPEAQSSPPQPPPGCWGCWPKGQGESMPLHRYGVGEAGPGAEAGEAALGGGSGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHSSLEHCWK
UniProtQ9JI35
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5076
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL204705
Molecular formulaC24H34N4O2
IUPAC name1-[[4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]propoxy]phenyl]methyl]piperidin-2-one
Molecular weight410.562
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50177539
1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidin-2-one
Inchi KeyAAKBFDPOXZBIAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N4O2/c29-24-4-1-2-12-28(24)18-21-5-7-23(8-6-21)30-15-3-11-27-13-9-20(10-14-27)16-22-17-25-19-26-22/h5-8,17,19-20H,1-4,9-16,18H2,(H,25,26)
PubChem CID44408118
ChEMBLCHEMBL204705
IUPHARN/A
BindingDB50177539
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki34.0 nMPMID16297617BindingDB,ChEMBL

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