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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

NameCHEMBL3659219
Molecular formulaC21H24BrN3O3
IUPAC name[2-[(5-bromopyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methylpyridin-2-yl)methanone
Molecular weight446.345
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL16039989
US9062078, 51
BDBM163920
Inchi KeyAVLWQXTVVHIWGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24BrN3O3/c1-3-27-18-8-4-13(2)24-20(18)21(26)25-16-6-7-17(25)14(10-16)12-28-19-9-5-15(22)11-23-19/h4-5,8-9,11,14,16-17H,3,6-7,10,12H2,1-2H3
PubChem CID90411715
ChEMBLCHEMBL3659219
IUPHARN/A
BindingDB163920
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1800.0 nM, NoneBindingDB,ChEMBL

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