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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

NameCHEMBL182367
Molecular formulaC25H16ClF6NO2S
IUPAC name2-[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Molecular weight543.908
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP7.1
Synonyms2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridin-3-yl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
BDBM50160916
Inchi KeyAJGJMWUDDSWHOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H16ClF6NO2S/c26-18-6-7-21(35-14-15-4-2-1-3-5-15)20(11-18)19-8-9-36-22(19)16-10-17(13-33-12-16)23(34,24(27,28)29)25(30,31)32/h1-13,34H,14H2
PubChem CID44392477
ChEMBLCHEMBL182367
IUPHARN/A
BindingDB50160916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki260.0 nMPMID15686932BindingDB,ChEMBL

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