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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

NameCHEMBL1929540
Molecular formulaC21H29NO4S2
IUPAC name4-[2-[(4S)-4-[(E,3S)-4-(3-ethylphenyl)-3-hydroxybut-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]ethylsulfanyl]butanoic acid
Molecular weight423.586
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL4913635
BDBM50360148
Inchi KeyMYRBEESOULJTOW-WARJXXDVSA-N
Inchi IDInChI=1S/C21H29NO4S2/c1-2-16-5-3-6-17(13-16)14-19(23)9-8-18-15-28-21(26)22(18)10-12-27-11-4-7-20(24)25/h3,5-6,8-9,13,18-19,23H,2,4,7,10-12,14-15H2,1H3,(H,24,25)/b9-8+/t18-,19+/m0/s1
PubChem CID10093793
ChEMBLCHEMBL1929540
IUPHARN/A
BindingDB50360148
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki65.0 nMPMID22204740BindingDB,ChEMBL

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