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GPCR

NameProstaglandin E2 receptor EP4 subtype
SpeciesMus musculus (Mouse)
GenePtger4
SynonymEP2
EP4 receptor
PGE receptor EP4 subtype
PGE2 receptor EP4 subtype
prostanoid EP4 receptor
DiseaseN/A for non-human GPCRs
Length513
Amino acid sequenceMAEVGGTIPRSNRELQRCVLLTTTIMSIPGVNASFSSTPERLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGDQALCDYSTFILLFFGLSGLSIICAMSIERYLAINHAYFYSHYVDKRLAGLTLFAIYASNVLFCALPNMGLGRSERQYPGTWCFIDWTTNVTAYAAFSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAAAVASVACRGHAGASPALQRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFINQLYQPNVVKDISRNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSGRDSSAQHCSESRRTSSAMSGHSRSFLARELKEISSTSQTLLYLPDLTESSLGGRNLLPGSHGMGLTQADTTSLRTLRISETSDSSQGQDSESVLLVDEVSGSHREEPASKGNSLQVTFPSETLKLSEKCI
UniProtP32240
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2489
IUPHAR343
DrugBankN/A

Ligand

NameCHEMBL292717
Molecular formulaC24H34O6S2
IUPAC name2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(propoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight482.65
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.9
Synonyms2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(propoxymethyl)phenyl]-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-propoxymethyl-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid
BDBM50101839
Inchi KeyFIQXCPHRXZECRQ-OOGOAWJDSA-N
Inchi IDInChI=1S/C24H34O6S2/c1-2-9-30-15-18-6-3-5-17(12-18)13-19(25)7-8-20-21(26)14-22(27)24(20)32-11-4-10-31-16-23(28)29/h3,5-8,12,19-21,24-26H,2,4,9-11,13-16H2,1H3,(H,28,29)/b8-7+/t19-,20+,21-,24-/m1/s1
PubChem CID44304009
ChEMBLCHEMBL292717
IUPHARN/A
BindingDB50101839
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5010.0 nMPMID11454473BindingDB,ChEMBL
Ki5.2 nMPMID11454473BindingDB,ChEMBL

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