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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

NameCHEMBL275874
Molecular formulaC18H25N3
IUPAC name3-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
Molecular weight283.419
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50110307
N-(3-Piperidinopropyl)-3-methylquinoline-4-amine
(3-Methyl-quinolin-4-yl)-(3-piperidin-1-yl-propyl)-amine; Oxalic acid
Inchi KeyAEFHCZSZYOUTHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25N3/c1-15-14-20-17-9-4-3-8-16(17)18(15)19-10-7-13-21-11-5-2-6-12-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,20)
PubChem CID44269697
ChEMBLCHEMBL275874
IUPHARN/A
BindingDB50110307
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki70.0 nMPMID11855993BindingDB,ChEMBL

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