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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

NameCHEMBL374675
Molecular formulaC27H27FN2O4
IUPAC name2-[2-[4-[6-fluoro-1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight462.521
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50156876
SCHEMBL5340936
2-{2-[4-(6-fluoro-1-furan-3-ylmethyl-1H-indol-3-yl)piperidin-1-yl]ethoxy}benzoic acid
Inchi KeyXUJYHTDMGGZORQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN2O4/c28-21-5-6-22-24(17-30(25(22)15-21)16-19-9-13-33-18-19)20-7-10-29(11-8-20)12-14-34-26-4-2-1-3-23(26)27(31)32/h1-6,9,13,15,17-18,20H,7-8,10-12,14,16H2,(H,31,32)
PubChem CID11385692
ChEMBLCHEMBL374675
IUPHARN/A
BindingDB50156876
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5042.0 nMPMID15566302BindingDB,ChEMBL

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