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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

NameUNII-86KF5VSV88
Molecular formulaC27H21F3N2O3
IUPAC name4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight478.471
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.1
SynonymsBenzoic acid, 4-(1-(((1-((4-(trifluoromethyl)phenyl)methyl)-1H-indol-7-yl)carbonyl)amino)cyclopropyl)-
4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CHEMBL1084009
86KF5VSV88
BWXAZFCPGFKANL-UHFFFAOYSA-N
[ Show all ]
Inchi KeyBWXAZFCPGFKANL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35)
PubChem CID25003075
ChEMBLCHEMBL1084009
IUPHARN/A
BindingDB50319837
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki20000.0 nMPMID20471829BindingDB,ChEMBL

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