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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 3
Molecular formulaC22H21N5O3
IUPAC name2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight403.442
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
SynonymsCHEMBL3426149
US20130102619, 3
BDBM97408
SCHEMBL14876708
Inchi KeyDZHWCPHUSBPNJT-RHSMWYFYSA-N
Inchi IDInChI=1S/C22H21N5O3/c1-14-7-8-17(29-20-11-16(12-23)9-10-24-20)13-27(14)22(28)19-6-4-3-5-18(19)21-25-15(2)30-26-21/h3-6,9-11,14,17H,7-8,13H2,1-2H3/t14-,17-/m1/s1
PubChem CID71526208
ChEMBLCHEMBL3426149
IUPHARN/A
BindingDB97408
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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