Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

NameProstaglandin E2 receptor EP2 subtype
SpeciesMus musculus (Mouse)
GenePtger2
SynonymEP2 receptor
PGE receptor EP2 subtype
PGE2 receptor EP2 subtype
prostaglandin E receptor 2 (subtype EP2), 53kDa
prostanoid EP2 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length362
Amino acid sequenceMDNFLNDSKLMEDCKSRQWLLSGESPAISSVMFSAGVLGNLIALALLARRWRGDTGCSAGSRTSISLFHVLVTELVLTDLLGTCLISPVVLASYSRNQTLVALAPESHACTYFAFTMTFFSLATMLMLFAMALERYLSIGYPYFYRRHLSRRGGLAVLPVIYGASLLFCSLPLLNYGEYVQYCPGTWCFIRHGRTAYLQLYATMLLLLIVAVLACNISVILNLIRMHRRSRRSRCGLSGSSLRGPGSRRRGERTSMAEETDHLILLAIMTITFAICSLPFTIFAYMDETSSLKEKWDLRALRFLSVNSIIDPWVFAILRPPVLRLMRSVLCCRTSLRTQEAQQTSCSTQSSASKQTDLCGQL
UniProtQ62053
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2488
IUPHAR341
DrugBankN/A

Ligand

NameCHEMBL1929542
Molecular formulaC20H24F3NO4S2
IUPAC name4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]but-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]ethylsulfanyl]butanoic acid
Molecular weight463.53
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50360150
SCHEMBL4909684
Inchi KeyILMFKXVUHOLDBJ-YMPXZSTISA-N
Inchi IDInChI=1S/C20H24F3NO4S2/c21-20(22,23)15-4-1-3-14(11-15)12-17(25)7-6-16-13-30-19(28)24(16)8-10-29-9-2-5-18(26)27/h1,3-4,6-7,11,16-17,25H,2,5,8-10,12-13H2,(H,26,27)/b7-6+/t16-,17+/m0/s1
PubChem CID10004602
ChEMBLCHEMBL1929542
IUPHARN/A
BindingDB50360150
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID22204740BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218