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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

NameCHEMBL559445
Molecular formulaC23H27N3
IUPAC name4-[4-[(3aR,6aR)-5-butyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]benzonitrile
Molecular weight345.49
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50294093
SCHEMBL3060601
4''-[(3aR,6aR)-5-Butylhexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl]-1,1''-biphenyl-4-carbonitrile
Inchi KeyAVRQZFFARCUFNZ-GGAORHGYSA-N
Inchi IDInChI=1S/C23H27N3/c1-2-3-13-25-16-21-12-14-26(23(21)17-25)22-10-8-20(9-11-22)19-6-4-18(15-24)5-7-19/h4-11,21,23H,2-3,12-14,16-17H2,1H3/t21-,23+/m1/s1
PubChem CID24743990
ChEMBLCHEMBL559445
IUPHARN/A
BindingDB50294093
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>1000.0 nMPMID19588934ChEMBL

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