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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

NameCHEMBL3663396
Molecular formulaC25H26N2O3
IUPAC name(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight402.494
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsUS9062078, 89
BDBM163958
SCHEMBL16040241
Inchi KeyABBMJPROVMDPMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N2O3/c1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23/h3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3
PubChem CID90411901
ChEMBLCHEMBL3663396
IUPHARN/A
BindingDB163958
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11.0 nM, NoneBindingDB,ChEMBL

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