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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

NameCHEMBL541516
Molecular formulaC26H30N2O4S
IUPAC name3-[3-[[(4-tert-butylphenyl)methyl-pyridin-2-ylsulfonylamino]methyl]phenyl]propanoic acid
Molecular weight466.596
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL5043152
BDBM50293493
3-(3-((N-(4-tert-butylbenzyl)pyridine-2-sulfonamido)methyl)phenyl)propanoic acid
Inchi KeySBKAQMPPKOPHSX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N2O4S/c1-26(2,3)23-13-10-21(11-14-23)18-28(33(31,32)24-9-4-5-16-27-24)19-22-8-6-7-20(17-22)12-15-25(29)30/h4-11,13-14,16-17H,12,15,18-19H2,1-3H3,(H,29,30)
PubChem CID18376196
ChEMBLCHEMBL541516
IUPHARN/A
BindingDB50293493
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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