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GPCR

NameOrexin receptor type 2
SpeciesRattus norvegicus (Rat)
GeneHcrtr2
Synonymhypocretin receptor 2
Hypocretin receptor type 2
hypocretin (orexin) receptor 2
orexin receptor type 2
Ox-2-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length460
Amino acid sequenceMSSTKLEDSLPRRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVVIWIVSCIIMIPQAIVMERSSMLPGLANKTTLFTVCDERWGGEVYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKQPQPVSQPRGSGQQSKARISAVAAEIKQIRARRKTARMLMVVLLVFAICYLPISILNVLKRVFGMFTHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCLGVHRRQGDRLARGRTSTESRKSLTTQISNFDNVSKLSEHVALTSISTLPAANGAGPLQNWYLQQGVPSSLLSTWLEV
UniProtP56719
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1275216
IUPHAR322
DrugBankN/A

Ligand

NameOrexin receptor antagonist 30
Molecular formulaC20H19N7O2
IUPAC name2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight389.419
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.9
SynonymsSCHEMBL14877056
CHEMBL3642143
US20130102619, 30
BDBM97398
Inchi KeyUYBUMKSCEDIKBS-GDBMZVCRSA-N
Inchi IDInChI=1S/C20H19N7O2/c1-14-6-7-16(29-19-10-15(11-21)8-9-22-19)12-26(14)20(28)17-4-2-3-5-18(17)27-24-13-23-25-27/h2-5,8-10,13-14,16H,6-7,12H2,1H3/t14-,16-/m1/s1
PubChem CID71526651
ChEMBLCHEMBL3642143
IUPHARN/A
BindingDB97398
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50110.0 nM, NoneBindingDB,ChEMBL

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