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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

NameCHEMBL3669026
Molecular formulaC22H23N7O2
IUPAC name[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)pyridin-3-yl]methanone
Molecular weight417.473
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM175173
SCHEMBL16030565
US9115117, 75
Inchi KeyCGORZWTZFXBGPK-DOTOQJQBSA-N
Inchi IDInChI=1S/C22H23N7O2/c1-14-9-10-16(20(25-14)29-23-11-12-24-29)21(30)28-13-5-7-17(15(28)2)26-22-27-18-6-3-4-8-19(18)31-22/h3-4,6,8-12,15,17H,5,7,13H2,1-2H3,(H,26,27)/t15-,17+/m0/s1
PubChem CID86270557
ChEMBLCHEMBL3669026
IUPHARN/A
BindingDB175173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nM, NoneBindingDB,ChEMBL

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