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GPCR

NameProstaglandin E2 receptor EP4 subtype
SpeciesRattus norvegicus (Rat)
GenePtger4
SynonymEP2
EP4 receptor
PGE receptor EP4 subtype
PGE2 receptor EP4 subtype
Prostanoid EP4 receptor
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSIPGVNASFSSTPERLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGDQALCDYSTFILLFFGLSGLSIICAMSIERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGRSERQYPGTWCFIDWTTNVTAYAAFSYMYAGFSSFLILATVLCNVLVCGALLRMLRQFMRRTSLGTEQHHAAAAAAVASVACRGHAAASPALQRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFINQLYQPSVVKDISRNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSGRDGSAQHCSESRRTSSAMSGHSRSFLSRELREISSTSHTLLYLPDLTESSLGGKNLLPGTHGMGLTQADTTSLRTLRISETSDSSQGQDSESVLLVDEVSGSQREEPASKGNSLQVTFPSETLKLSEKCI
UniProtP43114
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4086
IUPHAR343
DrugBankN/A

Ligand

NameCHEMBL549869
Molecular formulaC21H27NO5S
IUPAC name2-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenoxy]acetic acid
Molecular weight405.509
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL5725362
2-(3-((N-(4-tert-butylbenzyl)methylsulfonamido)methyl)phenoxy)acetic acid
BDBM50293489
Inchi KeyKLIXJEYHVBGSAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO5S/c1-21(2,3)18-10-8-16(9-11-18)13-22(28(4,25)26)14-17-6-5-7-19(12-17)27-15-20(23)24/h5-12H,13-15H2,1-4H3,(H,23,24)
PubChem CID10126807
ChEMBLCHEMBL549869
IUPHARN/A
BindingDB50293489
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<3200.0 nMPMID19250823BindingDB,ChEMBL

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