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GPCR

NameOrexin receptor type 1
SpeciesHomo sapiens (Human)
GeneHCRTR1
Synonymhypocretin receptor 1
OX1R
Ox1-R
OX1 receptor
Ox-1-R
[ Show all ]
DiseaseInsomnia
Sleep disorders; Insomnia; Substance dependence
Sleep disorders; Insomnia
Length425
Amino acid sequenceMEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
UniProtO43613
Protein Data Bank4zjc, 4zj8
GPCR-HGmod modelO43613
3D structure modelThis structure is from PDB ID 4zjc.
BioLiPBL0339163, BL0339164
Therapeutic Target DatabaseT73482
ChEMBLCHEMBL5113
IUPHAR321
DrugBankBE0005864

Ligand

NameSCHEMBL4536732
Molecular formulaC23H24N2O3S
IUPAC name6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one
Molecular weight408.516
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsUS9242970, 42
ACRPTJULOPXGFI-UHFFFAOYSA-N
CHEMBL3962071
BDBM202899
6-(2,6-dimethoxyphenyl)-1-(3-(thiazol-5-yl)benzyl)piperidin-2-one
Inchi KeyACRPTJULOPXGFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)23(19)18-8-4-11-22(26)25(18)14-16-6-3-7-17(12-16)21-13-24-15-29-21/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3
PubChem CID69082749
ChEMBLCHEMBL3962071
IUPHARN/A
BindingDB202899
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5025.0 nM, NoneBindingDB,ChEMBL

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