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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

NameCHEMBL1223502
Molecular formulaC23H29ClN4O
IUPAC name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
Molecular weight412.962
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50325486
SCHEMBL14456886
(4-(3-chlorobenzyl)piperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
Inchi KeyCZLIWQUYWUTHOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29ClN4O/c24-22-3-1-2-20(16-22)18-27-12-14-28(15-13-27)23(29)21-6-10-26(11-7-21)17-19-4-8-25-9-5-19/h1-5,8-9,16,21H,6-7,10-15,17-18H2
PubChem CID10179947
ChEMBLCHEMBL1223502
IUPHARN/A
BindingDB50325486
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.3 nMPMID20685118BindingDB,ChEMBL

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