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GPCR

NameHistamine H3 receptor
SpeciesHomo sapiens (Human)
GeneHRH3
SynonymHH3R
H3R
H3 receptor
GPCR97
G-protein coupled receptor 97
DiseaseObese insulin-resistant disorders
Excessive daytime sleepiness
Sleep disorders
Schizophrenia
Pain
[ Show all ]
Length445
Amino acid sequenceMERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProtQ9Y5N1
Protein Data BankN/A
GPCR-HGmod modelQ9Y5N1
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiPN/A
Therapeutic Target DatabaseT64765
ChEMBLCHEMBL264
IUPHAR264
DrugBankBE0000968

Ligand

Nameciproxifan
Molecular formulaC16H18N2O2
IUPAC namecyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
Molecular weight270.332
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.5
Synonyms184025-18-1
AKOS030526676
Ciproxifan (FUB-359)
D0I3XA
GTPL1265
[ Show all ]
Inchi KeyACQBHJXEAYTHCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
PubChem CID6422124
ChEMBLCHEMBL14638
IUPHAR1265
BindingDB27213
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki46.0 nMPMID12672253, PMID19846299, PMID21498080, PMID24900647, PMID11294398BindingDB,ChEMBL
Ki50.1187 - 199.526 nMPMID12606603, PMID15294456, PMID11284713, PMID11090094, PMID12393057, PMID26084539IUPHAR
Ki62.5 nMPMID15033391BindingDB
Ki63.0 nMPMID22313227, PMID15634000, PMID18683917BindingDB,ChEMBL
Ki63.1 nMPMID15634000, PMID18683917, PMID24161834ChEMBL
Ki63.1 nMPMID15608078, PMID12606603BindingDB
Ki89.13 nMPMID15608078, PMID12606603, PMID18683917BindingDB,ChEMBL
Ki89.4 nMPMID15033391BindingDB
Ki94.0 nMPMID15139761, PMID15634025BindingDB,ChEMBL
pKb6.59 -PMID18683917ChEMBL
pKb6.84 -PMID15634000, PMID18683917ChEMBL
pKb7.07 -PMID18683917ChEMBL
Ratio12.0 -PMID11294398ChEMBL

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