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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

NameCHEMBL3663502
Molecular formulaC25H23N7O
IUPAC name(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight437.507
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsUS9062078, 208
BDBM164078
SCHEMBL16040205
Inchi KeyBOIVPFOYSUFNKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N7O/c1-15-7-9-17(24-26-11-4-12-27-24)23(29-15)25(33)32-16-8-10-21(32)20(13-16)31-22-14-28-18-5-2-3-6-19(18)30-22/h2-7,9,11-12,14,16,20-21H,8,10,13H2,1H3,(H,30,31)
PubChem CID90411872
ChEMBLCHEMBL3663502
IUPHARN/A
BindingDB164078
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki30.0 nM, NoneBindingDB,ChEMBL

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