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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

NameCHEMBL3669032
Molecular formulaC24H24N6O2
IUPAC name[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)methanone
Molecular weight428.496
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
SynonymsUS9115117, 81
BDBM175179
SCHEMBL16031635
Inchi KeyCEZCPRMJAIZSLB-FUHWJXTLSA-N
Inchi IDInChI=1S/C24H24N6O2/c1-15-10-11-17(22-25-12-6-13-26-22)21(27-15)23(31)30-14-5-8-18(16(30)2)28-24-29-19-7-3-4-9-20(19)32-24/h3-4,6-7,9-13,16,18H,5,8,14H2,1-2H3,(H,28,29)/t16-,18+/m0/s1
PubChem CID90405452
ChEMBLCHEMBL3669032
IUPHARN/A
BindingDB175179
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki14.0 nM, NoneBindingDB,ChEMBL

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