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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

NameSCHEMBL1671936
Molecular formulaC21H23N7O
IUPAC name[6-(4,6-dimethylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight389.463
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.8
SynonymsCHEMBL3665643
BDBM119513
6-(4,6-Dimethylpyrimidin-2-yl)-3-{[5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-3,6-diazabicyclo[3.2.0]heptane
US8680275, 68
ACJPUSZQFBKUFF-UHFFFAOYSA-N
Inchi KeyACJPUSZQFBKUFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N7O/c1-13-4-5-18(28-22-6-7-23-28)17(8-13)20(29)26-10-16-11-27(19(16)12-26)21-24-14(2)9-15(3)25-21/h4-9,16,19H,10-12H2,1-3H3
PubChem CID52919439
ChEMBLCHEMBL3665643
IUPHARN/A
BindingDB119513
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki192.0 nM, NoneBindingDB,ChEMBL

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