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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

NameCHEMBL3691824
Molecular formulaC21H18F3N5O2
IUPAC name[2-(1,2,4-triazol-4-yl)phenyl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight429.403
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM143760
SCHEMBL16045602
US8969352, 21
Inchi KeyCTAUDMRXJCJSKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F3N5O2/c22-21(23,24)14-5-6-19(25-9-14)31-18-8-13-7-17(18)29(10-13)20(30)15-3-1-2-4-16(15)28-11-26-27-12-28/h1-6,9,11-13,17-18H,7-8,10H2
PubChem CID86271970
ChEMBLCHEMBL3691824
IUPHARN/A
BindingDB143760
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nM, NoneBindingDB,ChEMBL

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