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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

NameCHEMBL3663415
Molecular formulaC22H22FN5O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
Molecular weight407.449
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM163979
SCHEMBL16041478
US9062078, 110
Inchi KeyBEAGVPLMMXLLEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22FN5O2/c1-14-3-2-4-19(28-25-9-10-26-28)21(14)22(29)27-17-6-7-18(27)15(11-17)13-30-20-8-5-16(23)12-24-20/h2-5,8-10,12,15,17-18H,6-7,11,13H2,1H3
PubChem CID90412859
ChEMBLCHEMBL3663415
IUPHARN/A
BindingDB163979
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki54.0 nM, NoneBindingDB,ChEMBL

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