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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

NameCHEMBL3669050
Molecular formulaC20H19F3N6O2
IUPAC name[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight432.407
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.5
SynonymsUS9115117, 103
BDBM175201
SCHEMBL16030927
Inchi KeyFTQQHPMQVXWTDW-SUMWQHHRSA-N
Inchi IDInChI=1S/C20H19F3N6O2/c1-13-17(31-19-24-11-14(12-25-19)20(21,22)23)7-4-10-28(13)18(30)15-5-2-3-6-16(15)29-26-8-9-27-29/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3/t13-,17+/m0/s1
PubChem CID90404845
ChEMBLCHEMBL3669050
IUPHARN/A
BindingDB175201
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2300.0 nM, NoneBindingDB,ChEMBL

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