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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

NameCHEMBL3663519
Molecular formulaC22H20F3N7O
IUPAC name(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight455.445
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM164095
SCHEMBL16041347
US9062078, 225
Inchi KeyBFAVQUPTEKLHRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20F3N7O/c1-12-3-5-15(19-26-7-2-8-27-19)18(30-12)20(33)32-14-4-6-17(32)16(9-14)31-21-28-10-13(11-29-21)22(23,24)25/h2-3,5,7-8,10-11,14,16-17H,4,6,9H2,1H3,(H,28,29,31)
PubChem CID90412756
ChEMBLCHEMBL3663519
IUPHARN/A
BindingDB164095
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki530.0 nM, NoneBindingDB,ChEMBL

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