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GPCR

NameHistamine H3 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh3
SynonymGPCR97
H3 receptor
H3R
HH3R
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProtQ9QYN8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4124
IUPHAR264
DrugBankN/A

Ligand

NameCHEMBL161279
Molecular formulaC30H31FN6O4
IUPAC nameN-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
Molecular weight558.614
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50139322
SCHEMBL7251693
1,6-Dihydro-pyridine-3-carboxylic acid [(R)-2-(4-{3-[3-fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-amide
Inchi KeyAZSDBZCRHARECA-OAQYLSRUSA-N
Inchi IDInChI=1S/C30H31FN6O4/c1-21(33-28(38)23-9-5-12-32-20-23)30(39)37-16-14-36(15-17-37)13-6-18-40-24-10-11-25(26(31)19-24)27-34-29(41-35-27)22-7-3-2-4-8-22/h2-5,7-12,19-21H,6,13-18H2,1H3,(H,33,38)/t21-/m1/s1
PubChem CID44373847
ChEMBLCHEMBL161279
IUPHARN/A
BindingDB50139322
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.3 nMPMID14741266BindingDB,ChEMBL

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