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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

NameCHEMBL556333
Molecular formulaC22H29NO4S
IUPAC name3-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenyl]propanoic acid
Molecular weight403.537
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
Synonyms3-(3-((N-(4-tert-butylbenzyl)methylsulfonamido)methyl)phenyl)propanoic acid
BDBM50293491
Inchi KeyQQZAPBSSIZZJJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29NO4S/c1-22(2,3)20-11-8-18(9-12-20)15-23(28(4,26)27)16-19-7-5-6-17(14-19)10-13-21(24)25/h5-9,11-12,14H,10,13,15-16H2,1-4H3,(H,24,25)
PubChem CID45271238
ChEMBLCHEMBL556333
IUPHARN/A
BindingDB50293491
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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