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GPCR

NameHistamine H1 receptor
SpeciesHomo sapiens (Human)
GeneHRH1
SynonymHH1R
H1R
Hisr
H1 receptor
DiseaseVertigo's disease; Meniere's disease
Ocular allergy
Obesity
Nausea; Vomiting
Insomnia; Anxiety disorder
[ Show all ]
Length487
Amino acid sequenceMSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProtP35367
Protein Data Bank3rze
GPCR-HGmod modelP35367
3D structure modelThis structure is from PDB ID 3rze.
BioLiPBL0202178, BL0202179, BL0202180
Therapeutic Target DatabaseT77913
ChEMBLCHEMBL231
IUPHAR262
DrugBankBE0000442

Ligand

NameCHEMBL1210209
Molecular formulaC29H35FN4O3
IUPAC nameN-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6-(methylamino)pyridine-3-carboxamide
Molecular weight506.622
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50322979
N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-6-(methylamino)nicotinamide
SCHEMBL2960276
Inchi KeyAKCGOXREZJOGPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H35FN4O3/c1-4-36-25-16-20(17-26(37-5-2)28(25)21-6-9-23(30)10-7-21)19-34-14-12-24(13-15-34)33-29(35)22-8-11-27(31-3)32-18-22/h6-11,16-18,24H,4-5,12-15,19H2,1-3H3,(H,31,32)(H,33,35)
PubChem CID49862961
ChEMBLCHEMBL1210209
IUPHARN/A
BindingDB50322979
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition11.0 %PMID20580234ChEMBL

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