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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

NameCHEMBL601299
Molecular formulaC20H14Cl3NO3S
IUPAC name4-[[[2,5-dichloro-4-[(3-chlorophenyl)methyl]thiophene-3-carbonyl]amino]methyl]benzoic acid
Molecular weight454.746
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50308134
SCHEMBL2349826
4-[({[2,5-Dichloro-4-(3-chlorobenzyl)-3-thienyl]carbonyl}amino)methyl]benzoic acid
Inchi KeyBGASCMMYJZPCSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14Cl3NO3S/c21-14-3-1-2-12(8-14)9-15-16(18(23)28-17(15)22)19(25)24-10-11-4-6-13(7-5-11)20(26)27/h1-8H,9-10H2,(H,24,25)(H,26,27)
PubChem CID24953285
ChEMBLCHEMBL601299
IUPHARN/A
BindingDB50308134
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501.6 nMPMID20163116BindingDB,ChEMBL
Ki0.72 nMPMID20163116ChEMBL
Ki0.72 nMPMID20163116BindingDB
Ki0.9 nM, NoneBindingDB,ChEMBL

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