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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

NameCHEMBL3691815
Molecular formulaC24H21F3N4O3
IUPAC name(4-methoxy-2-pyrimidin-2-ylphenyl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight470.452
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.8
SynonymsUS8969352, 12
BDBM143751
SCHEMBL16044257
Inchi KeyDSTQNGFYZOHDRW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21F3N4O3/c1-33-16-4-5-17(18(11-16)22-28-7-2-8-29-22)23(32)31-13-14-9-19(31)20(10-14)34-21-6-3-15(12-30-21)24(25,26)27/h2-8,11-12,14,19-20H,9-10,13H2,1H3
PubChem CID86271788
ChEMBLCHEMBL3691815
IUPHARN/A
BindingDB143751
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki44.0 nM, NoneBindingDB,ChEMBL

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