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GPCR

NameProstaglandin E2 receptor EP3 subtype
SpeciesMus musculus (Mouse)
GenePtger3
SynonymEP3 receptor
PGE receptor EP3 subtype
PGE2 receptor EP3 subtype
prostaglandin E receptor 3
prostanoid EP3 receptor
DiseaseN/A for non-human GPCRs
Length365
Amino acid sequenceMASMWAPEHSAEAHSNLSSTTDDCGSVSVAFPITMMVTGFVGNALAMLLVSRSYRRRESKRKKSFLLCIGWLALTDLVGQLLTSPVVILVYLSQRRWEQLDPSGRLCTFFGLTMTVFGLSSLLVASAMAVERALAIRAPHWYASHMKTRATPVLLGVWLSVLAFALLPVLGVGRYSVQWPGTWCFISTGPAGNETDPAREPGSVAFASAFACLGLLALVVTFACNLATIKALVSRCRAKAAVSQSSAQWGRITTETAIQLMGIMCVLSVCWSPLLIMMLKMIFNQMSVEQCKTQMGKEKECNSFLIAVRLASLNQILDPWVYLLLRKILLRKFCQIRDHTNYASSSTSLPCPGSSALMWSDQLER
UniProtP30557
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4336
IUPHAR342
DrugBankN/A

Ligand

NameCHEMBL1929533
Molecular formulaC20H24F3NO5S
IUPAC name4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]but-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoic acid
Molecular weight447.469
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50360166
Inchi KeyJSMUWCDLWMNLAD-YMPXZSTISA-N
Inchi IDInChI=1S/C20H24F3NO5S/c21-20(22,23)15-4-1-3-14(11-15)12-17(25)7-6-16-13-29-19(28)24(16)8-10-30-9-2-5-18(26)27/h1,3-4,6-7,11,16-17,25H,2,5,8-10,12-13H2,(H,26,27)/b7-6+/t16-,17+/m0/s1
PubChem CID9981052
ChEMBLCHEMBL1929533
IUPHARN/A
BindingDB50360166
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1600.0 nMPMID22204740BindingDB,ChEMBL

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