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GPCR

NameOrexin receptor type 1
SpeciesHomo sapiens (Human)
GeneHCRTR1
Synonymhypocretin receptor 1
OX1R
Ox1-R
OX1 receptor
Ox-1-R
[ Show all ]
DiseaseInsomnia
Sleep disorders; Insomnia; Substance dependence
Sleep disorders; Insomnia
Length425
Amino acid sequenceMEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
UniProtO43613
Protein Data Bank4zjc, 4zj8
GPCR-HGmod modelO43613
3D structure modelThis structure is from PDB ID 4zjc.
BioLiPBL0339163, BL0339164
Therapeutic Target DatabaseT73482
ChEMBLCHEMBL5113
IUPHAR321
DrugBankBE0005864

Ligand

NameCHEMBL3691843
Molecular formulaC20H19BrN6O2
IUPAC name[6-(5-bromopyridin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)pyridin-2-yl]methanone
Molecular weight455.316
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM143789
SCHEMBL16089435
US8969352, 50
Inchi KeyGOUAQCADINSCHG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3
PubChem CID86270661
ChEMBLCHEMBL3691843
IUPHARN/A
BindingDB143789
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.0 nM, NoneBindingDB,ChEMBL

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