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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

NameCHEMBL1222420
Molecular formulaC17H26N4O
IUPAC name(4-methylpiperazin-1-yl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
Molecular weight302.422
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.5
SynonymsBDBM50325482
(4-methylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
Inchi KeyAMXIWGVKXSBUBW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H26N4O/c1-19-10-12-21(13-11-19)17(22)16-4-8-20(9-5-16)14-15-2-6-18-7-3-15/h2-3,6-7,16H,4-5,8-14H2,1H3
PubChem CID49864752
ChEMBLCHEMBL1222420
IUPHARN/A
BindingDB50325482
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki355.0 nMPMID20685118BindingDB,ChEMBL

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