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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

NameCHEMBL3622428
Molecular formulaC32H34N4O6S
IUPAC name3-[4-methoxy-3-[[3-[2-[(3-methoxybenzoyl)amino]ethylamino]phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
Molecular weight602.706
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.4
SynonymsBDBM50121307
N-(2-(3-(4-Methoxy-3'-dimethylcarbamoyl-3-biphenylylsulfonylamino)anilino)ethyl)-3-methoxybenzamide
SCHEMBL18138768
Inchi KeyAINDCHPKOIXBSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H34N4O6S/c1-36(2)32(38)25-10-5-8-22(18-25)23-14-15-29(42-4)30(20-23)43(39,40)35-27-12-7-11-26(21-27)33-16-17-34-31(37)24-9-6-13-28(19-24)41-3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)
PubChem CID122191829
ChEMBLCHEMBL3622428
IUPHARN/A
BindingDB50121307
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5033.0 nMPMID26267383BindingDB,ChEMBL
Emax54.0 %PMID26267383ChEMBL

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