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GPCR

NameOrexin receptor type 1
SpeciesRattus norvegicus (Rat)
GeneHcrtr1
Synonymhypocretin (orexin) receptor 1
hypocretin receptor 1
Hypocretin receptor type 1
Hctr1
orexin receptor type 1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length416
Amino acid sequenceMEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQAAVMECSSVLPELANRTRLFSVCDERWADELYPKIYHSCFFFVTYLAPLGLMGMAYFQIFRKLWGPQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPSSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS
UniProtP56718
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075232
IUPHAR321
DrugBankN/A

Ligand

NameCHEMBL3659219
Molecular formulaC21H24BrN3O3
IUPAC name[2-[(5-bromopyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methylpyridin-2-yl)methanone
Molecular weight446.345
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsUS9062078, 51
BDBM163920
SCHEMBL16039989
Inchi KeyAVLWQXTVVHIWGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24BrN3O3/c1-3-27-18-8-4-13(2)24-20(18)21(26)25-16-6-7-17(25)14(10-16)12-28-19-9-5-15(22)11-23-19/h4-5,8-9,11,14,16-17H,3,6-7,10,12H2,1-2H3
PubChem CID90411715
ChEMBLCHEMBL3659219
IUPHARN/A
BindingDB163920
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki974.0 nM, NoneBindingDB,ChEMBL

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