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GPCR

NameProstaglandin E2 receptor EP3 subtype
SpeciesHomo sapiens (Human)
GenePTGER3
SynonymEP3 receptor
PGE receptor EP3 subtype
PGE2 receptor EP3 subtype
PGE2-R
prostaglandin E receptor 3
[ Show all ]
DiseasePain
Peripheral vascular disease
Asthma
Glaucoma
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

NameCHEMBL430124
Molecular formulaC20H27NO4S
IUPAC name2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetic acid
Molecular weight377.499
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.4
Synonyms{4-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-butylsulfanyl}-acetic acid
BDBM50125399
[4-[(2R)-2beta-(3-Hydroxy-4-phenyl-1-butenyl)-5-oxopyrrolizino]butylthio]acetic acid
Inchi KeyAFVYXQHLVZPGPW-NBGZVGPFSA-N
Inchi IDInChI=1S/C20H27NO4S/c22-18(14-16-6-2-1-3-7-16)10-8-17-9-11-19(23)21(17)12-4-5-13-26-15-20(24)25/h1-3,6-8,10,17-18,22H,4-5,9,11-15H2,(H,24,25)/b10-8+/t17-,18?/m0/s1
PubChem CID44269521
ChEMBLCHEMBL430124
IUPHARN/A
BindingDB50125399
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<13000.0 nMPMID12643927BindingDB,ChEMBL

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