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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

NameCHEMBL1957434
Molecular formulaC22H24ClNO4S
IUPAC name5-[3-[(2R)-2-[(E,3S)-4-(3-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight433.947
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50366142
SCHEMBL10210192
Inchi KeyFISCKHIBKSXUOC-JFDVKVQISA-N
Inchi IDInChI=1S/C22H24ClNO4S/c23-16-4-1-3-15(13-16)14-18(25)8-6-17-7-11-21(26)24(17)12-2-5-19-9-10-20(29-19)22(27)28/h1,3-4,6,8-10,13,17-18,25H,2,5,7,11-12,14H2,(H,27,28)/b8-6+/t17-,18+/m0/s1
PubChem CID57403612
ChEMBLCHEMBL1957434
IUPHARN/A
BindingDB50366142
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki350.0 nMPMID22386979BindingDB,ChEMBL

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