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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

NameCHEMBL3659226
Molecular formulaC21H22N6O2
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-(pyridin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight390.447
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM163927
SCHEMBL16041506
US9062078, 58
Inchi KeyBFKVCDQIAXRADW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N6O2/c1-14-4-6-19(27-23-9-10-24-27)20(25-14)21(28)26-16-5-7-18(26)15(11-16)13-29-17-3-2-8-22-12-17/h2-4,6,8-10,12,15-16,18H,5,7,11,13H2,1H3
PubChem CID90412885
ChEMBLCHEMBL3659226
IUPHARN/A
BindingDB163927
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki88.0 nM, NoneBindingDB,ChEMBL

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