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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

NameCHEMBL3663554
Molecular formulaC23H19BrFN7O
IUPAC name[2-[(3-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular weight508.355
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsUS9062078, 270
BDBM164140
US9475819, 270
BDBM255252
SCHEMBL16081384
Inchi KeyBNPVELSULLCXLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19BrFN7O/c24-18-12-29-22-21(28-9-10-31(18)22)30-16-11-13-5-6-17(16)32(13)23(33)14-3-1-4-15(25)19(14)20-26-7-2-8-27-20/h1-4,7-10,12-13,16-17H,5-6,11H2,(H,28,30)
PubChem CID90445387
ChEMBLCHEMBL3663554
IUPHARN/A
BindingDB164140
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki145.0 nM, NoneBindingDB,ChEMBL

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