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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

NameCHEMBL180742
Molecular formulaC26H22Cl2O4
IUPAC name(E)-3-[2-[(E)-3-[2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]-1-hydroxyprop-2-enyl]phenyl]prop-2-enoic acid
Molecular weight469.358
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50159773
SCHEMBL7807282
3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-phenyl]-1-hydroxy-allyl}-phenyl)-acrylic acid
SCHEMBL7807283
Inchi KeyABHDIPZJDPNXNR-QUMQEAAQSA-N
Inchi IDInChI=1S/C26H22Cl2O4/c1-17-6-4-8-19(26(17)32-16-21-22(27)10-5-11-23(21)28)12-14-24(29)20-9-3-2-7-18(20)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
PubChem CID22009011
ChEMBLCHEMBL180742
IUPHARN/A
BindingDB50159773
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3000.0 nMPMID15664806BindingDB,ChEMBL

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