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GPCR

NameHistamine H3 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH3
SynonymH3R
HH3R
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMERAPPDGLMNASGALAGEAAAAAGGARTFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGVFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMVLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGAREAGPDPLPEAQSSPPQPPPGCWGCWPKGQGESMPLHRYGVGEAGPGAEAGEAALGGGSGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHSSLEHCWK
UniProtQ9JI35
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5076
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL204640
Molecular formulaC22H27N5O
IUPAC name2-[4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]propoxy]phenyl]pyrimidine
Molecular weight377.492
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
Synonyms2-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)phenyl)pyrimidine
BDBM50177524
Inchi KeyBMHSODPULYRVCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5O/c1-9-24-22(25-10-1)19-3-5-21(6-4-19)28-14-2-11-27-12-7-18(8-13-27)15-20-16-23-17-26-20/h1,3-6,9-10,16-18H,2,7-8,11-15H2,(H,23,26)
PubChem CID44408042
ChEMBLCHEMBL204640
IUPHARN/A
BindingDB50177524
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki45.0 nMPMID16297617BindingDB,ChEMBL

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