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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

NameCHEMBL303532
Molecular formulaC24H34O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(3-methoxypropyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight482.65
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50101835
[3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-3-hydroxy-4-[3-(3-methoxy-propyl)-phenyl]-but-1-enyl}-5-oxo-cyclopentylsulfanyl)-propylsulfanyl]-acetic acid
2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(3-methoxypropyl)phenyl]-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
Inchi KeyBXUOGPXKNVFXFX-AUMRBCJYSA-N
Inchi IDInChI=1S/C24H34O6S2/c1-30-10-3-7-17-5-2-6-18(13-17)14-19(25)8-9-20-21(26)15-22(27)24(20)32-12-4-11-31-16-23(28)29/h2,5-6,8-9,13,19-21,24-26H,3-4,7,10-12,14-16H2,1H3,(H,28,29)/b9-8+/t19-,20+,21-,24-/m1/s1
PubChem CID44303710
ChEMBLCHEMBL303532
IUPHARN/A
BindingDB50101835
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID11454473BindingDB,ChEMBL

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