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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

NameCHEMBL1172272
Molecular formulaC20H23Cl2N3O2
IUPAC name[6-(3,4-dichlorophenoxy)pyridin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
Molecular weight408.323
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50321494
SCHEMBL2964695
(6-(3,4-dichlorophenoxy)pyridin-2-yl)(4-isopropyl-1,4-diazepan-1-yl)methanone
Inchi KeyAIGFOSRTRIRODL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23Cl2N3O2/c1-14(2)24-9-4-10-25(12-11-24)20(26)18-5-3-6-19(23-18)27-15-7-8-16(21)17(22)13-15/h3,5-8,13-14H,4,9-12H2,1-2H3
PubChem CID24771576
ChEMBLCHEMBL1172272
IUPHARN/A
BindingDB50321494
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki430.0 nMPMID20561786BindingDB,ChEMBL

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