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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

NameER 819762
Molecular formulaC30H39N3O3
IUPAC name(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one
Molecular weight489.66
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
Synonyms(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one
GTPL4040
AKOS032962851
ER-819762
1155773-15-1
[ Show all ]
Inchi KeyANKFBAJRCGOKJJ-QFIPXVFZSA-N
Inchi IDInChI=1S/C30H39N3O3/c1-7-33-29(34)32-19-24-16-25(35-5)17-26(36-6)28(24)22(4)15-27(32)30(33)8-10-31(11-9-30)18-23-13-20(2)12-21(3)14-23/h12-17,22H,7-11,18-19H2,1-6H3/t22-/m0/s1
PubChem CID42596951
ChEMBLN/A
IUPHAR4040
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5070.0 nMPMID20423341IUPHAR
Ki0.56 nMPMID20163116IUPHAR

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