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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

NameSCHEMBL2191405
Molecular formulaC27H34O5S
IUPAC namemethyl (Z)-7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoate
Molecular weight470.624
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM184636
US9156810, (70, 71)
CHEMBL3923193
Inchi KeyAZBPBCFXVUVEQJ-QFWJEMMJSA-N
Inchi IDInChI=1S/C27H34O5S/c1-27(2)25(30)21(11-6-4-5-7-13-24(29)32-3)22(26(27)31)15-14-19(28)17-20-16-18-10-8-9-12-23(18)33-20/h4,6,8-10,12,14-16,19,21-22,26,28,31H,5,7,11,13,17H2,1-3H3/b6-4-,15-14+/t19?,21-,22-,26+/m1/s1
PubChem CID10096272
ChEMBLCHEMBL3923193
IUPHARN/A
BindingDB184636
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMN/ABindingDB

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