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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

NameSCHEMBL4529392
Molecular formulaC27H24N2OS
IUPAC name1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one
Molecular weight424.562
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM203107
5-([1,1'-biphenyl]-2-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
US9242970, 286
AEGWGVROKVYKOO-UHFFFAOYSA-N
CHEMBL3933506
Inchi KeyAEGWGVROKVYKOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24N2OS/c1-19-28-25(18-31-19)22-11-7-8-20(16-22)17-29-26(14-15-27(29)30)24-13-6-5-12-23(24)21-9-3-2-4-10-21/h2-13,16,18,26H,14-15,17H2,1H3
PubChem CID69080124
ChEMBLCHEMBL3933506
IUPHARN/A
BindingDB203107
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50462.0 nM, NoneBindingDB,ChEMBL

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