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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

NameCHEMBL1085560
Molecular formulaC24H26N4
IUPAC name2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carbonitrile
Molecular weight370.5
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50319514
SCHEMBL1641115
(R)-2,6-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)nicotinonitrile
ABCLYDOXFRWKNB-MRXNPFEDSA-N
2,6-dimethyl-5-(6-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-2-quinolinyl)nicotinonitrile
Inchi KeyABCLYDOXFRWKNB-MRXNPFEDSA-N
Inchi IDInChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3/t16-/m1/s1
PubChem CID46890475
ChEMBLCHEMBL1085560
IUPHARN/A
BindingDB50319514
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.28 nMPMID20457525BindingDB,ChEMBL
Ki0.3 nMPMID21802950BindingDB

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