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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 9
Molecular formulaC22H22N6O2
IUPAC name2-[(3R,6R)-6-methyl-1-[4-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight402.458
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM97378
SCHEMBL14877048
CHEMBL3642123
US20130102619, 9
Inchi KeyHVKZCWBOKSNHRN-SJLPKXTDSA-N
Inchi IDInChI=1S/C22H22N6O2/c1-15-3-6-19(20(11-15)28-25-9-10-26-28)22(29)27-14-18(5-4-16(27)2)30-21-12-17(13-23)7-8-24-21/h3,6-12,16,18H,4-5,14H2,1-2H3/t16-,18-/m1/s1
PubChem CID71526299
ChEMBLCHEMBL3642123
IUPHARN/A
BindingDB97378
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5022.0 nM, NoneBindingDB,ChEMBL

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