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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

NameCHEMBL1669412
Molecular formulaC19H21N3
IUPAC name2-[[2-[2-(azetidin-1-yl)ethyl]-3H-inden-1-yl]methyl]pyrazine
Molecular weight291.398
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.1
SynonymsBDBM50336073
2-((2-(2-(azetidin-1-yl)ethyl)-1H-inden-3-yl)methyl)pyrazine
Inchi KeyADLLYWYUHVDQBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N3/c1-2-5-18-15(4-1)12-16(6-11-22-9-3-10-22)19(18)13-17-14-20-7-8-21-17/h1-2,4-5,7-8,14H,3,6,9-13H2
PubChem CID53320189
ChEMBLCHEMBL1669412
IUPHARN/A
BindingDB50336073
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.3 nMPMID21232954BindingDB,ChEMBL

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