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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

NameCHEMBL1081720
Molecular formulaC14H25N3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-(5-methylhexan-2-yl)carbamate
Molecular weight267.373
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50311781
1,4-Dimethylpentylcarbamic acid 3-(1H-imidazole-4-yl)propyl ester
(R,S)-3-(1H-imidazol-4-yl)propyl 5-methylhexan-2-ylcarbamate
Inchi KeyAIPXZCQJTXUFHL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H25N3O2/c1-11(2)6-7-12(3)17-14(18)19-8-4-5-13-9-15-10-16-13/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)
PubChem CID11794363
ChEMBLCHEMBL1081720
IUPHARN/A
BindingDB50311781
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki30.0 nMPMID19846299BindingDB,ChEMBL

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