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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

NameConessine analogue, 12d
Molecular formulaC31H41N3O
IUPAC name4-cyano-N-methyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]benzamide
Molecular weight471.689
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.7
Synonyms4-cyano-N-methyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-yl]benzamide
CHEMBL510426
BDBM27198
Inchi KeyBGHMFFCWINSZMO-YTLNYRDXSA-N
Inchi IDInChI=1S/C31H41N3O/c1-20-26-11-12-28-25-10-9-23-17-24(34(4)29(35)22-7-5-21(18-32)6-8-22)13-15-30(23,2)27(25)14-16-31(26,28)19-33(20)3/h5-9,20,24-28H,10-17,19H2,1-4H3/t20-,24-,25+,26+,27-,28-,30-,31-/m0/s1
PubChem CID25053285
ChEMBLCHEMBL510426
IUPHARN/A
BindingDB27198
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki194.98 nMPMID18683917ChEMBL
Ki195.0 nMPMID18683917BindingDB,ChEMBL

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