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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

NameCHEMBL3659243
Molecular formulaC24H25N3O3
IUPAC name(7-ethoxyquinolin-8-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight403.482
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL16042614
US9062078, 75
BDBM163944
Inchi KeyGMTZECCVYNQQFY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3O3/c1-2-29-20-11-8-16-6-5-13-26-23(16)22(20)24(28)27-18-9-10-19(27)17(14-18)15-30-21-7-3-4-12-25-21/h3-8,11-13,17-19H,2,9-10,14-15H2,1H3
PubChem CID90413762
ChEMBLCHEMBL3659243
IUPHARN/A
BindingDB163944
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.0 nM, NoneBindingDB,ChEMBL

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