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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

NameCHEMBL305126
Molecular formulaC21H28O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-(4-methoxyphenyl)but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight440.569
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.3
Synonyms(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(4-methoxy-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
BDBM50101838
2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-(4-methoxyphenyl)-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
Inchi KeyAZYKMZOJGGSIIB-DXWQYRMGSA-N
Inchi IDInChI=1S/C21H28O6S2/c1-27-16-6-3-14(4-7-16)11-15(22)5-8-17-18(23)12-19(24)21(17)29-10-2-9-28-13-20(25)26/h3-8,15,17-18,21-23H,2,9-13H2,1H3,(H,25,26)/b8-5+/t15-,17+,18-,21-/m1/s1
PubChem CID44304051
ChEMBLCHEMBL305126
IUPHARN/A
BindingDB50101838
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki220.0 nMPMID11454473BindingDB,ChEMBL

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