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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

NameCHEMBL1258754
Molecular formulaC19H25N3O2
IUPAC name8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
Molecular weight327.428
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.7
Synonyms8-(1-isopropyl-piperidin-4-yloxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
BDBM50327481
SCHEMBL2980042
8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
AJUFRGDVXUPOOW-UHFFFAOYSA-N
Inchi KeyAJUFRGDVXUPOOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N3O2/c1-13(2)21-8-5-15(6-9-21)24-16-3-4-17-14(11-16)12-18-19(23)20-7-10-22(17)18/h3-4,11-13,15H,5-10H2,1-2H3,(H,20,23)
PubChem CID16679518
ChEMBLCHEMBL1258754
IUPHARN/A
BindingDB50327481
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition1.0 %PMID20801030ChEMBL

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