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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

NameCHEMBL3417505
Molecular formulaC20H27N3O2
IUPAC name5-[4-[(2S)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
Molecular weight341.455
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsSCHEMBL1372699
BDBM50079579
Inchi KeyADTARRIQWGUIIA-BULQSVBWSA-N
Inchi IDInChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
PubChem CID59548712
ChEMBLCHEMBL3417505
IUPHARN/A
BindingDB50079579
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.8 nMPMID25827402BindingDB,ChEMBL

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