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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

NameOrexin receptor antagonist 17
Molecular formulaC21H21N7O3
IUPAC name2-[(3R,6R)-1-[6-methoxy-2-(triazol-2-yl)pyridine-3-carbonyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight419.445
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.6
SynonymsCHEMBL3642130
US20130102619, 17
BDBM97385
SCHEMBL14877107
Inchi KeyDGACJWNMJQVDSN-GDBMZVCRSA-N
Inchi IDInChI=1S/C21H21N7O3/c1-14-3-4-16(31-19-11-15(12-22)7-8-23-19)13-27(14)21(29)17-5-6-18(30-2)26-20(17)28-24-9-10-25-28/h5-11,14,16H,3-4,13H2,1-2H3/t14-,16-/m1/s1
PubChem CID71526393
ChEMBLCHEMBL3642130
IUPHARN/A
BindingDB97385
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, NoneBindingDB,ChEMBL

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