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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

NameSCHEMBL4536325
Molecular formulaC20H18ClF4NO3
IUPAC name(3S,5S)-5-(2-chloro-6-ethoxyphenyl)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
Molecular weight431.812
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.4
SynonymsCHEMBL3919179
BDBM203253
US9242970, 436
Inchi KeyAIMZGLHDJDQGPJ-HOTGVXAUSA-N
Inchi IDInChI=1S/C20H18ClF4NO3/c1-2-28-17-5-3-4-14(21)18(17)16-10-15(22)19(27)26(16)11-12-6-8-13(9-7-12)29-20(23,24)25/h3-9,15-16H,2,10-11H2,1H3/t15-,16-/m0/s1
PubChem CID69082542
ChEMBLCHEMBL3919179
IUPHARN/A
BindingDB203253
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5031.0 nM, NoneBindingDB,ChEMBL

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