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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

NameCHEMBL464042
Molecular formulaC22H17Cl2N3O7S3
IUPAC name2-[4-[[4-[2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-2-oxoethoxy]-1H-indol-3-yl]sulfonyl]phenyl]acetamide
Molecular weight602.472
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50254689
2-(3-(4-(2-amino-2-oxoethyl)phenylsulfonyl)-1H-indol-4-yloxy)-N-(4,5-dichlorothiophen-2-ylsulfonyl)acetamide
Inchi KeyBHXXLIORSYABJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17Cl2N3O7S3/c23-14-9-20(35-22(14)24)37(32,33)27-19(29)11-34-16-3-1-2-15-21(16)17(10-26-15)36(30,31)13-6-4-12(5-7-13)8-18(25)28/h1-7,9-10,26H,8,11H2,(H2,25,28)(H,27,29)
PubChem CID44570192
ChEMBLCHEMBL464042
IUPHARN/A
BindingDB50254689
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC505.0 nMPMID19022669BindingDB,ChEMBL
IC5027.8 nMPMID19022669BindingDB,ChEMBL

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