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GPCR

NameHistamine H1 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH1
SynonymH1R
HH1R
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP
UniProtP31389
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3943
IUPHARN/A
DrugBankN/A

Ligand

NameHistaprodifen
Molecular formulaC20H23N3
IUPAC name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethanamine
Molecular weight305.425
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.5
Synonyms2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1-amine
D0RG8O
SCHEMBL3019488
2-[2-(3,3-diphenylpropyl)-1h-imidazol-4-yl]ethanamine
GTPL4026
[ Show all ]
Inchi KeyBPZGZNLONLANFE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
PubChem CID10447834
ChEMBLCHEMBL275507
IUPHAR4026
BindingDB22864
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Concentration3.0 uMPMID14640554ChEMBL
Concentration30.0 nMPMID10737740ChEMBL
Concentration30.0 uMPMID10737740ChEMBL
EC50158.49 nMPMID14640554ChEMBL
EC50181.97 nMPMID14640554, PMID10737740ChEMBL
EC50309.03 nMPMID10737740ChEMBL
EC501949.84 nMPMID10737740ChEMBL
Emax72.0 -PMID10737740ChEMBL
Emax84.0 %PMID14640554ChEMBL
Emax84.0 -PMID10737740ChEMBL
Emax100.0 %PMID14640554ChEMBL
Emax100.0 -PMID10737740ChEMBL
Kd0.776 nMPMID10737740BindingDB
Kd0.7762 nMPMID10737740ChEMBL
Kd0.977 nMPMID10737740BindingDB
Kd0.9772 nMPMID10737740ChEMBL
Kd1.58 nMPMID10737740BindingDB
Kd1.585 nMPMID10737740ChEMBL
pKp6.04 -PMID14640554, PMID10737740ChEMBL
Relative potency101.0 -PMID14640554, PMID10737740ChEMBL
Relative potency111.0 -PMID14640554, PMID10737740ChEMBL
Relative potency115.0 -PMID10737740ChEMBL

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