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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

NameSCHEMBL4536986
Molecular formulaC22H24N4O3
IUPAC name6-(2,6-dimethoxyphenyl)-1-[(6-pyrazol-1-ylpyridin-2-yl)methyl]piperidin-2-one
Molecular weight392.459
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.4
SynonymsUS9242970, 51
AGYMHIIXXBFDHS-UHFFFAOYSA-N
CHEMBL3940216
1-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
BDBM202907
Inchi KeyAGYMHIIXXBFDHS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O3/c1-28-18-9-5-10-19(29-2)22(18)17-8-4-12-21(27)25(17)15-16-7-3-11-20(24-16)26-14-6-13-23-26/h3,5-7,9-11,13-14,17H,4,8,12,15H2,1-2H3
PubChem CID69082861
ChEMBLCHEMBL3940216
IUPHARN/A
BindingDB202907
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50213.0 nM, NoneBindingDB,ChEMBL

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