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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

NameMF310
Molecular formulaC35H31F6N3O8S
IUPAC name1-(2,6-dimethoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
Molecular weight767.696
Hydrogen bond acceptor15
Hydrogen bond donor1
XlogP5.9
Synonyms915192-01-7
CHEMBL404199
SCHEMBL1735006
BDBM50372058
KB-78845
[ Show all ]
Inchi KeyFJMQKJOWJVMHPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)
PubChem CID15947857
ChEMBLCHEMBL404199
IUPHARN/A
BindingDB50372058
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<9000.0 nMPMID18291643BindingDB,ChEMBL

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