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GPCR

NameProstaglandin E2 receptor EP4 subtype
SpeciesHomo sapiens (Human)
GenePTGER4
SynonymProstanoid EP4 receptor
PGE2 receptor EP4 subtype
PGE receptor EP4 subtype
EP4 receptor
EP2
DiseaseUlcerative colitis
Glaucoma
Inflammatory disease
Migraine
Osteoarthritis
[ Show all ]
Length488
Amino acid sequenceMSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
UniProtP35408
Protein Data Bank5ywy, 5yhl
GPCR-HGmod modelP35408
3D structure modelThis structure is from PDB ID 5ywy.
BioLiPBL0434347, BL0434289
Therapeutic Target DatabaseT18876
ChEMBLCHEMBL1836
IUPHAR343
DrugBankBE0003522

Ligand

NameProstaglandin E2
Molecular formulaC20H32O5
IUPAC name(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Molecular weight352.471
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.8
SynonymsDinoprostone, United States Pharmacopeia (USP) Reference Standard
(Z)-7-[(1r,2r,3r)-3-Hydroxy-2-[(E,3s)-3-Hydroxyoct-1-Enyl]-5-Oxo-Cyclopentyl]hept-5-Enoic Acid
E2, Prostaglandin
1798-EP2301922A1
HMS1361K12
[ Show all ]
Inchi KeyXEYBRNLFEZDVAW-ARSRFYASSA-N
Inchi IDInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
PubChem CID5280360
ChEMBLCHEMBL548
IUPHAR1883, 1916
BindingDB35847
DrugBankDB00917

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity40.0 %PMID24279689ChEMBL
EC503.0 nMPMID12643927, PMID18039575BindingDB,ChEMBL
EC507.5 nMPMID26985320BindingDB,ChEMBL
EC50900.0 nMPMID19584306IUPHAR
IC500.45 nMPMID23466604ChEMBL
IC500.55 nMPMID27876250ChEMBL
IC500.7 nMPMID12643927BindingDB
IC500.7 nMPMID12643927ChEMBL
IC501.1 nMPMID23403082ChEMBL
IC503.8 nMPMID18983139ChEMBL
IC505.5 nMPMID27876250BindingDB
IC509.9 nMPMID20218623BindingDB,ChEMBL
Inhibition5.0 %PMID23403082ChEMBL
Kd0.3 - 24.0 nMPMID16604093, PMID10634944, PMID10952683, PMID22480736IUPHAR
Ki0.17 nMPMID23466604ChEMBL
Ki0.45 nMPMID23403082ChEMBL
Ki0.79 nMPMID18039575, PMID17931866, PMID10634944, PMID17531488BindingDB,ChEMBL
Ki0.794 - 7.94 nMPMID16604093, PMID10634944, PMID10462542, PMID10952683, PMID17495127IUPHAR
Ki1.9 nMPMID18983139ChEMBL
Ki3.1 nMPMID24279689BindingDB,ChEMBL

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