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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

NameCHEMBL3670580
Molecular formulaC24H27N5OS
IUPAC name[(1R,6S)-8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-[2-methyl-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
Molecular weight433.574
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
SynonymsSCHEMBL11964850
US8680275, 173
BDBM119616
Inchi KeyAAOIVEBXZWDLKP-PMACEKPBSA-N
Inchi IDInChI=1S/C24H27N5OS/c1-14-5-7-18(8-6-14)22-21(27-17(4)31-22)23(30)28-10-9-19-12-29(20(19)13-28)24-25-15(2)11-16(3)26-24/h5-8,11,19-20H,9-10,12-13H2,1-4H3/t19-,20-/m0/s1
PubChem CID68179567
ChEMBLCHEMBL3670580
IUPHARN/A
BindingDB119616
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki62.0 nM, NoneBindingDB,ChEMBL

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