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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

NameSCHEMBL15658462
Molecular formulaC24H27N3O2
IUPAC name2-[(3R,6R)-1-(2-cyclopropyl-4-methylbenzoyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
Molecular weight389.499
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
Synonyms2-({(3r,6r)-1-[(2-cyclopropyl- 4-methylphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile
US9546152, example 51
BDBM205144
Inchi KeyAJNUFBMCWNNNIO-OXQOHEQNSA-N
Inchi IDInChI=1S/C24H27N3O2/c1-15-4-9-21(22(12-15)18-6-7-18)24(28)27-14-20(8-5-16(27)2)29-23-17(3)19(13-25)10-11-26-23/h4,9-12,16,18,20H,5-8,14H2,1-3H3/t16-,20-/m1/s1
PubChem CID74222844
ChEMBLN/A
IUPHARN/A
BindingDB205144
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5021.0 nMN/ABindingDB
Ki0.6 nMN/ABindingDB

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