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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

NameCHEMBL3663520
Molecular formulaC20H20FN7O
IUPAC name[2-[(5-fluoropyridin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)pyridin-2-yl]methanone
Molecular weight393.426
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.9
SynonymsUS9062078, 236
BDBM164106
SCHEMBL16042134
Inchi KeyBUAUJEIAVYPDGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN7O/c1-12-2-5-17(28-23-8-9-24-28)19(25-12)20(29)27-14-4-6-16(27)15(10-14)26-18-7-3-13(21)11-22-18/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,22,26)
PubChem CID90413396
ChEMBLCHEMBL3663520
IUPHARN/A
BindingDB164106
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

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