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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

NameSCHEMBL2190873
Molecular formulaC28H37NO4S
IUPAC name(Z)-7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]-N-ethylhept-5-enamide
Molecular weight483.667
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.2
SynonymsUS9156810, 60
CHEMBL3937653
BDBM184632
Inchi KeyBSXYVWRTPMIXJN-YNYDDOMNSA-N
Inchi IDInChI=1S/C28H37NO4S/c1-4-29-25(31)14-8-6-5-7-12-22-23(27(33)28(2,3)26(22)32)16-15-20(30)18-21-17-19-11-9-10-13-24(19)34-21/h5,7,9-11,13,15-17,20,22-23,27,30,33H,4,6,8,12,14,18H2,1-3H3,(H,29,31)/b7-5-,16-15+/t20?,22-,23-,27+/m1/s1
PubChem CID10435419
ChEMBLCHEMBL3937653
IUPHARN/A
BindingDB184632
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, NoneBindingDB,ChEMBL

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