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GPCR

NameProstaglandin E2 receptor EP4 subtype
SpeciesHomo sapiens (Human)
GenePTGER4
SynonymProstanoid EP4 receptor
PGE2 receptor EP4 subtype
PGE receptor EP4 subtype
EP4 receptor
EP2
DiseaseUlcerative colitis
Glaucoma
Inflammatory disease
Migraine
Osteoarthritis
[ Show all ]
Length488
Amino acid sequenceMSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
UniProtP35408
Protein Data Bank5ywy, 5yhl
GPCR-HGmod modelP35408
3D structure modelThis structure is from PDB ID 5ywy.
BioLiPBL0434347, BL0434289
Therapeutic Target DatabaseT18876
ChEMBLCHEMBL1836
IUPHAR343
DrugBankBE0003522

Ligand

NameCHEMBL563949
Molecular formulaC16H12F2N2O4S
IUPAC name2-[1-(3,4-difluorophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular weight366.339
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
Synonyms[1-(3,4-difluoro-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
BDBM50296848
HLSYGDSWXJGENX-UHFFFAOYSA-N
2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
SCHEMBL1940356
Inchi KeyHLSYGDSWXJGENX-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
PubChem CID11667741
ChEMBLCHEMBL563949
IUPHARN/A
BindingDB50296848
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID19592244BindingDB,ChEMBL

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