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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

NameCHEMBL3663517
Molecular formulaC20H19F3N8O
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight444.422
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM164093
US9062078, 228
BDBM164098
SCHEMBL16040466
US9062078, 223
Inchi KeyAPHKMEWYYNAEKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)
PubChem CID90412063
ChEMBLCHEMBL3663517
IUPHARN/A
BindingDB164093, 164098
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, NoneBindingDB,ChEMBL
Ki550.0 nM, NoneBindingDB,ChEMBL

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