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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

NameCHEMBL3659242
Molecular formulaC24H22N6O2
IUPAC name[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone
Molecular weight426.48
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM163943
SCHEMBL16041094
US9062078, 74
Inchi KeyAYJHDWGNHNBJBV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N6O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22/h1-7,10-12,14,17-18,20H,8-9,13,15H2
PubChem CID90412558
ChEMBLCHEMBL3659242
IUPHARN/A
BindingDB163943
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1700.0 nM, NoneBindingDB,ChEMBL

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