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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

NameCHEMBL3793009
Molecular formulaC20H22ClNO6
IUPAC name2-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methylphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-oxazole-4-carboxylic acid
Molecular weight407.847
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50156530
Inchi KeyAGDRDTDMBKFWKW-BSPHMWTBSA-N
Inchi IDInChI=1S/C20H22ClNO6/c1-10-6-11(2-4-14(10)21)26-8-13-12-3-5-17(28-18(12)7-16(13)23)19-22-15(9-27-19)20(24)25/h2,4,6,9,12-13,16-18,23H,3,5,7-8H2,1H3,(H,24,25)/t12-,13-,16-,17-,18+/m1/s1
PubChem CID127029402
ChEMBLCHEMBL3793009
IUPHARN/A
BindingDB50156530
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID27055938BindingDB,ChEMBL

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