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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

NameCHEMBL3819427
Molecular formulaC20H22N2O2
IUPAC name4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl]benzamide
Molecular weight322.408
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
SynonymsSCHEMBL20358377
BDBM50182739
Inchi KeyHNPAUMYBQXZAJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O2/c21-20(24)17-9-7-16(8-10-17)19(23)6-3-12-22-13-11-15-4-1-2-5-18(15)14-22/h1-2,4-5,7-10H,3,6,11-14H2,(H2,21,24)
PubChem CID127051844
ChEMBLCHEMBL3819427
IUPHARN/A
BindingDB50182739
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1427.0 nMPMID27312422BindingDB,ChEMBL
Ki1584.89 nMPMID27312422ChEMBL
Ki1585.0 nMPMID27312422BindingDB

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