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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

NameCHEMBL161202
Molecular formulaC29H36FN5O5
IUPAC nameN-[(2R)-1-[4-[3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
Molecular weight553.635
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.4
Synonyms3-[2-Fluoro-4-[3-[4-[(R)-2-(2-furanylcarbonylamino)propionyl]hexahydro-1H-1,4-diazepine-1-yl]propoxy]phenyl]-5-cyclopentyl-1,2,4-oxadiazole
SCHEMBL7248946
BDBM50139279
Furan-2-carboxylic acid [(R)-2-(4-{3-[4-(5-cyclopentyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-[1,4]diazepan-1-yl)-1-methyl-2-oxo-ethyl]-amide
Inchi KeyAHOYJVPDAHEACX-HXUWFJFHSA-N
Inchi IDInChI=1S/C29H36FN5O5/c1-20(31-27(36)25-9-4-17-39-25)29(37)35-14-5-12-34(15-16-35)13-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-2-3-8-21/h4,9-11,17,19-21H,2-3,5-8,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1
PubChem CID44374162
ChEMBLCHEMBL161202
IUPHARN/A
BindingDB50139279
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki15.0 nMPMID14741266BindingDB,ChEMBL

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