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GPCR

NameOrexin receptor type 2
SpeciesHomo sapiens (Human)
GeneHCRTR2
SynonymOx-2-R
OX2 receptor
Ox2-R
OX2R
orexin receptor type 2
[ Show all ]
DiseaseInsomnia
Length444
Amino acid sequenceMSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
UniProtO43614
Protein Data Bank5ws3, 5wqc, 4s0v, 4rnb
GPCR-HGmod modelO43614
3D structure modelThis structure is from PDB ID 5ws3.
BioLiPBL0303710, BL0398950, BL0397818, BL0302679
Therapeutic Target DatabaseT69485
ChEMBLCHEMBL4792
IUPHAR322
DrugBankBE0005865

Ligand

NameSCHEMBL4541596
Molecular formulaC22H24N4O3S
IUPAC name6-(4,6-dimethoxypyrimidin-5-yl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
Molecular weight424.519
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.2
SynonymsCHEMBL3903513
BDBM203090
6-(4,6-dimethoxypyrimidin-5-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
US9242970, 269
AERREAAADMJGLC-UHFFFAOYSA-N
Inchi KeyAERREAAADMJGLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O3S/c1-14-25-17(12-30-14)16-7-4-6-15(10-16)11-26-18(8-5-9-19(26)27)20-21(28-2)23-13-24-22(20)29-3/h4,6-7,10,12-13,18H,5,8-9,11H2,1-3H3
PubChem CID69085145
ChEMBLCHEMBL3903513
IUPHARN/A
BindingDB203090
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50619.0 nM, NoneBindingDB,ChEMBL

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