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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

NameCHEMBL246679
Molecular formulaC23H22N2
IUPAC name4-[6-(2-pyrrolidin-3-ylethyl)naphthalen-2-yl]benzonitrile
Molecular weight326.443
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.1
Synonyms4-(6-(2-(pyrrolidin-3-yl)ethyl)naphthalen-2-yl)benzonitrile
BDBM50200633
Inchi KeyASDHDZRREGFVSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N2/c24-15-18-4-6-20(7-5-18)22-10-9-21-13-17(3-8-23(21)14-22)1-2-19-11-12-25-16-19/h3-10,13-14,19,25H,1-2,11-12,16H2
PubChem CID44440809
ChEMBLCHEMBL246679
IUPHARN/A
BindingDB50200633
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki66.07 nMPMID17169555ChEMBL
Ki66.1 nMPMID17169555BindingDB,ChEMBL

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