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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

NameSCHEMBL2341479
Molecular formulaC24H27FN4O2
IUPAC name[6-[(4-fluoro-3-methylphenoxy)methyl]-2-methylazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight422.504
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.0
SynonymsUS8623863, 2-9
CHEMBL3680362
BDBM112666
Inchi KeyCFMVZRSEANQYHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3
PubChem CID46199304
ChEMBLCHEMBL3680362
IUPHARN/A
BindingDB112666
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki50.0 nM, NoneBindingDB,ChEMBL

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