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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

NameCHEMBL3663418
Molecular formulaC21H21FN6O3
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methoxy-3-(triazol-2-yl)pyridin-2-yl]methanone
Molecular weight424.436
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.0
SynonymsUS9062078, 114
BDBM163983
SCHEMBL16078029
Inchi KeyCFCHVDPOZYYMPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21FN6O3/c1-30-19-7-5-17(28-24-8-9-25-28)20(26-19)21(29)27-15-3-4-16(27)13(10-15)12-31-18-6-2-14(22)11-23-18/h2,5-9,11,13,15-16H,3-4,10,12H2,1H3
PubChem CID90442503
ChEMBLCHEMBL3663418
IUPHARN/A
BindingDB163983
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki20.0 nM, NoneBindingDB,ChEMBL

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