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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

NameSCHEMBL4536426
Molecular formulaC25H26N2O3
IUPAC name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-phenylpyridin-2-yl)methyl]pyrrolidin-2-one
Molecular weight402.494
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsCHEMBL3895679
BDBM202989
5-(2,6-dimethoxyphenyl)-3-methyl-1-((6-phenylpyridin-2-yl)methyl)pyrrolidin-2-one
US9242970, 138
AJINUHRTDLBLGI-UHFFFAOYSA-N
Inchi KeyAJINUHRTDLBLGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N2O3/c1-17-15-21(24-22(29-2)13-8-14-23(24)30-3)27(25(17)28)16-19-11-7-12-20(26-19)18-9-5-4-6-10-18/h4-14,17,21H,15-16H2,1-3H3
PubChem CID69082588
ChEMBLCHEMBL3895679
IUPHARN/A
BindingDB202989
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5029.0 nM, NoneBindingDB,ChEMBL

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