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GPCR

NameHistamine H3 receptor
SpeciesMus musculus (Mouse)
GeneHrh3
SynonymGPCR97
H3 receptor
H3R
HH3R
DiseaseN/A for non-human GPCRs
Length445
Amino acid sequenceMERAPPDGLMNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVETGEAGLGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProtP58406
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3263
IUPHAR264
DrugBankN/A

Ligand

NameCHEMBL1270165
Molecular formulaC20H27NO
IUPAC name1,2,5-trimethyl-4-(2-naphthalen-2-ylethyl)piperidin-4-ol
Molecular weight297.442
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50328809
rac-1,2,5-trimethyl-4-(2-(naphthalen-2-yl)ethyl)piperidin-4-ol
Inchi KeyICKWJAMESDNKEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,10-11,13-14H2,1-3H3
PubChem CID52942843
ChEMBLCHEMBL1270165
IUPHARN/A
BindingDB50328809
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50122.0 nMPMID20833043BindingDB,ChEMBL

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