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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

NameCHEMBL3663478
Molecular formulaC20H19F3N8O
IUPAC name[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight444.422
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM164054
SCHEMBL16081360
US9062078, 184
Inchi KeyAZUAZEABFTZMKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19F3N8O/c1-11-6-15(31-27-4-5-28-31)18(26-8-11)19(32)30-12-2-3-14(30)13(7-12)29-17-10-24-16(9-25-17)20(21,22)23/h4-6,8-10,12-14H,2-3,7H2,1H3,(H,25,29)
PubChem CID90445363
ChEMBLCHEMBL3663478
IUPHARN/A
BindingDB164054
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki189.0 nM, NoneBindingDB,ChEMBL

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