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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

NameCHEMBL3954046
Molecular formulaC21H21N7O2
IUPAC name5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
Molecular weight403.446
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM221417
US9303023, 114
Inchi KeyABCOETVKIYAMHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N7O2/c1-14-4-3-5-16(8-14)19-18(25-13-30-19)20(29)27-17-11-26-28(12-17)7-6-22-21-23-9-15(2)10-24-21/h3-5,8-13H,6-7H2,1-2H3,(H,27,29)(H,22,23,24)
PubChem CID126842429
ChEMBLCHEMBL3954046
IUPHARN/A
BindingDB221417
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502610.0 nM, NoneBindingDB,ChEMBL

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