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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

NameCHEMBL3663484
Molecular formulaC21H20F3N7O
IUPAC name[6-methyl-2-(triazol-1-yl)pyridin-3-yl]-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight443.434
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM164060
SCHEMBL16081450
US9062078, 190
Inchi KeyGHXZJXMDEVEHKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N7O/c1-12-2-5-15(19(27-12)30-9-8-26-29-30)20(32)31-14-4-6-17(31)16(10-14)28-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14,16-17H,4,6,10H2,1H3,(H,25,28)
PubChem CID90445451
ChEMBLCHEMBL3663484
IUPHARN/A
BindingDB164060
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki589.0 nM, NoneBindingDB,ChEMBL

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