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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

NameCHEMBL3663499
Molecular formulaC23H22N8O
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-(quinoxalin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight426.484
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM164075
US9062078, 230
BDBM164100
SCHEMBL16041110
US9062078, 205
Inchi KeyCSASZLQIJMDWMO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N8O/c1-14-6-8-20(31-25-10-11-26-31)22(27-14)23(32)30-15-7-9-19(30)18(12-15)29-21-13-24-16-4-2-3-5-17(16)28-21/h2-6,8,10-11,13,15,18-19H,7,9,12H2,1H3,(H,28,29)
PubChem CID90412570
ChEMBLCHEMBL3663499
IUPHARN/A
BindingDB164075, 164100
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, NoneBindingDB,ChEMBL
Ki79.0 nM, NoneBindingDB,ChEMBL

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