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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

NameCHEMBL207203
Molecular formulaC23H24ClNO5S
IUPAC name2-[(3R)-4-[(4-chlorophenyl)methyl]-5-(1-hydroxyethyl)-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular weight461.957
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
Synonyms2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
BDBM50184217
SCHEMBL10312745
Inchi KeyACIAOTYWHUSEBZ-AWKYBWMHSA-N
Inchi IDInChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
PubChem CID11294166
ChEMBLCHEMBL207203
IUPHARN/A
BindingDB50184217
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<20000.0 nMPMID17300164, PMID16529930BindingDB,ChEMBL

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