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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

NameCHEMBL3794185
Molecular formulaC21H23ClO5S
IUPAC name4-[(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]thiophene-2-carboxylic acid
Molecular weight422.92
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50156528
SCHEMBL18409912
Inchi KeyBOUVPWYXHRMMHT-YRGVVPAESA-N
Inchi IDInChI=1S/C21H23ClO5S/c1-11-6-13(2-4-16(11)22)26-9-15-14-3-5-18(27-19(14)8-17(15)23)12-7-20(21(24)25)28-10-12/h2,4,6-7,10,14-15,17-19,23H,3,5,8-9H2,1H3,(H,24,25)/t14-,15-,17-,18-,19+/m1/s1
PubChem CID126495427
ChEMBLCHEMBL3794185
IUPHARN/A
BindingDB50156528
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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