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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

NameCHEMBL3902305
Molecular formulaC22H23N7O5
IUPAC nameN-[1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
Molecular weight465.47
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM221359
US9303023, 55
Inchi KeyAGTYLUDFLBJZNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N7O5/c1-31-16-6-4-14(5-7-16)20-19(24-13-34-20)21(30)26-15-11-25-29(12-15)9-8-23-22-27-17(32-2)10-18(28-22)33-3/h4-7,10-13H,8-9H2,1-3H3,(H,26,30)(H,23,27,28)
PubChem CID60163154
ChEMBLCHEMBL3902305
IUPHARN/A
BindingDB221359
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nM, NoneBindingDB,ChEMBL

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