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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

NameCHEMBL3663538
Molecular formulaC21H18F4N6O2
IUPAC name[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight462.409
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.4
SynonymsUS9062078, 254
BDBM164124
SCHEMBL16081428
Inchi KeyBCQLDDDEMNRLJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F4N6O2/c1-10-28-19(33-30-10)18-12(3-2-4-13(18)22)20(32)31-11-5-6-15(31)14(7-11)29-17-9-26-16(8-27-17)21(23,24)25/h2-4,8-9,11,14-15H,5-7H2,1H3,(H,27,29)
PubChem CID90445431
ChEMBLCHEMBL3663538
IUPHARN/A
BindingDB164124
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nM, NoneBindingDB,ChEMBL

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