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GPCR

NameHistamine H1 receptor
SpeciesMus musculus (Mouse)
GeneHrh1
SynonymH1 receptor
H1R
HH1R
Hisr
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSLPNTSSASEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFLSFLWVIPILGWHHFTPLAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPTFLEIKLRSEDAKEGAKKPGKESPWGVQKRPSRDPTGGLDQKSTSEDPKVTSPTVFSQEGERETVTRPCFRLDVMQTQPVPEGDARGSKANDQTLSQPKMDEQSLSTCRRISETSEDQTLVDRQSFSRTTDSDTSIEPGLGKVKARSRSNSGLDYIKVTWKRLRSHSRQYVSGLHLNRERKAAKQLGCIMAAFILCWIPYFIFFMVIAFCNSCCSEPVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProtP70174
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4322
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL385133
Molecular formulaC25H29FN2O4
IUPAC name2-[2-[4-[6-fluoro-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight440.515
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50156863
2-(2-{4-[6-fluoro-1-(2-methoxyethyl)-1H-indol-3-yl]piperidin-1-yl}ethoxy)benzoic acid
Inchi KeyDDRDBIHCGXAAID-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29FN2O4/c1-31-14-13-28-17-22(20-7-6-19(26)16-23(20)28)18-8-10-27(11-9-18)12-15-32-24-5-3-2-4-21(24)25(29)30/h2-7,16-18H,8-15H2,1H3,(H,29,30)
PubChem CID11362693
ChEMBLCHEMBL385133
IUPHARN/A
BindingDB50156863
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED5040.0 mg.kg-1PMID15566302ChEMBL

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