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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

NameCHEMBL3663406
Molecular formulaC22H22FN5O3
IUPAC name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridin-2-yl]methanone
Molecular weight423.448
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.9
SynonymsUS9062078, 99
BDBM163968
SCHEMBL16040985
Inchi KeyGLMTYLNCWJSHLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
PubChem CID90412468
ChEMBLCHEMBL3663406
IUPHARN/A
BindingDB163968
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2900.0 nM, NoneBindingDB,ChEMBL

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