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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

NameCHEMBL161565
Molecular formulaC29H36FN5O4
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]-3-methylbutanamide
Molecular weight537.636
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.2
SynonymsSCHEMBL7251143
BDBM50139341
N-[(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]-3-methyl-butyramide
Inchi KeyARDDCPMFWUUFHR-OAQYLSRUSA-N
Inchi IDInChI=1S/C29H36FN5O4/c1-20(2)18-26(36)31-21(3)29(37)35-15-13-34(14-16-35)12-7-17-38-23-10-11-24(25(30)19-23)27-32-28(39-33-27)22-8-5-4-6-9-22/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,31,36)/t21-/m1/s1
PubChem CID44373941
ChEMBLCHEMBL161565
IUPHARN/A
BindingDB50139341
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11.0 nMPMID14741266BindingDB,ChEMBL

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