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GPCR

NameProstaglandin E2 receptor EP1 subtype
SpeciesHomo sapiens (Human)
GenePTGER1
SynonymPGE receptor EP1 subtype
EP1 receptor
prostaglandin E receptor 1 (subtype EP1), 42kDa
Prostanoid EP1 receptor
EP1 prostanoid receptor
[ Show all ]
DiseaseUnspecified
Thrombosis
Pollakiuria
Pain
Length402
Amino acid sequenceMSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSNLLALALLAQAAGRLRRRRSAATFLLFVASLLATDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTRPLLHAARVSVARARLALAAVAAVALAVALLPLARVGRYELQYPGTWCFIGLGPPGGWRQALLAGLFASLGLVALLAALVCNTLSGLALLRARWRRRSRRPPPASGPDSRRRWGAHGPRSASASSASSIASASTFFGGSRSSGSARRARAHDVEMVGQLVGIMVVSCICWSPMLVLVALAVGGWSSTSLQRPLFLAVRLASWNQILDPWVYILLRQAVLRQLLRLLPPRAGAKGGPAGLGLTPSAWEASSLRSSRHSGLSHF
UniProtP34995
Protein Data BankN/A
GPCR-HGmod modelP34995
3D structure modelThis predicted structure model is from GPCR-EXP P34995.
BioLiPN/A
Therapeutic Target DatabaseT15497
ChEMBLCHEMBL1811
IUPHAR340
DrugBankBE0000064

Ligand

NameCHEMBL603462
Molecular formulaC25H22F3NO3S
IUPAC name4-[1-[[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight473.51
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.9
Synonyms4-{1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid
BDBM50308130
SCHEMBL2352729
Inchi KeyFFFKIGGQAODEPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22F3NO3S/c1-14-20(13-16-4-3-5-19(12-16)25(26,27)28)21(15(2)33-14)22(30)29-24(10-11-24)18-8-6-17(7-9-18)23(31)32/h3-9,12H,10-11,13H2,1-2H3,(H,29,30)(H,31,32)
PubChem CID24953624
ChEMBLCHEMBL603462
IUPHARN/A
BindingDB50308130
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<4992.0 nMPMID20163116BindingDB,ChEMBL

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