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GPCR

NameProstaglandin E2 receptor EP3 subtype
SpeciesHomo sapiens (Human)
GenePTGER3
SynonymEP3 receptor
Prostanoid EP3 receptor
prostaglandin E receptor 3
PGE2 receptor EP3 subtype
PGE2-R
[ Show all ]
DiseaseAsthma
Glaucoma
Pain
Peripheral vascular disease
Length390
Amino acid sequenceMKETRGYGGDAPFCTRLNHSYTGMWAPERSAEARGNLTRPPGSGEDCGSVSVAFPITMLLTGFVGNALAMLLVSRSYRRRESKRKKSFLLCIGWLALTDLVGQLLTTPVVIVVYLSKQRWEHIDPSGRLCTFFGLTMTVFGLSSLFIASAMAVERALAIRAPHWYASHMKTRATRAVLLGVWLAVLAFALLPVLGVGQYTVQWPGTWCFISTGRGGNGTSSSHNWGNLFFASAFAFLGLLALTVTFSCNLATIKALVSRCRAKATASQSSAQWGRITTETAIQLMGIMCVLSVCWSPLLIMMLKMIFNQTSVEHCKTHTEKQKECNFFLIAVRLASLNQILDPWVYLLLRKILLRKFCQIRYHTNNYASSSTSLPCQCSSTLMWSDHLER
UniProtP43115
Protein Data Bank6m9t
GPCR-HGmod modelP43115
3D structure modelThis structure is from PDB ID 6m9t.
BioLiPBL0434681
Therapeutic Target DatabaseT85467
ChEMBLCHEMBL3710
IUPHAR342
DrugBankBE0002375

Ligand

NameCHEMBL522435
Molecular formulaC26H17F3N4O4S
IUPAC name(E)-3-(1-methyl-4-quinoxalin-2-yloxyindol-3-yl)-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide
Molecular weight538.501
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50248448
3-(1-methyl-4-(quinoxalin-2-yloxy)-1H-indol-3-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
Inchi KeyAIHBNUULUGTKAA-MDZDMXLPSA-N
Inchi IDInChI=1S/C26H17F3N4O4S/c1-33-14-15(9-10-24(34)32-38(35,36)23-12-17(28)16(27)11-18(23)29)26-21(33)7-4-8-22(26)37-25-13-30-19-5-2-3-6-20(19)31-25/h2-14H,1H3,(H,32,34)/b10-9+
PubChem CID44565044
ChEMBLCHEMBL522435
IUPHARN/A
BindingDB50248448
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC507.2 nMPMID19188065BindingDB,ChEMBL
IC50128.2 nMPMID19188065BindingDB,ChEMBL
Ratio IC5017.7 -PMID19188065ChEMBL

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