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 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
SpeciesHomo sapiens (Human)
GenePTGER2
SynonymPGE receptor EP2 subtype
PGE2 receptor EP2 subtype
prostaglandin E receptor 2 (subtype EP2), 53kDa
Prostanoid EP2 receptor
Ptger-ep2
[ Show all ]
DiseaseOsteoporosis
Pulmonary arterial hypertension
Miscarriage
Medical abortion
Immune disorder
[ Show all ]
Length358
Amino acid sequenceMGNASNDSQSEDCETRQWLPPGESPAISSVMFSAGVLGNLIALALLARRWRGDVGCSAGRRSSLSLFHVLVTELVFTDLLGTCLISPVVLASYARNQTLVALAPESRACTYFAFAMTFFSLATMLMLFAMALERYLSIGHPYFYQRRVSRSGGLAVLPVIYAVSLLFCSLPLLDYGQYVQYCPGTWCFIRHGRTAYLQLYATLLLLLIVSVLACNFSVILNLIRMHRRSRRSRCGPSLGSGRGGPGARRRGERVSMAEETDHLILLAIMTITFAVCSLPFTIFAYMNETSSRKEKWDLQALRFLSINSIIDPWVFAILRPPVLRLMRSVLCCRISLRTQDATQTSCSTQSDASKQADL
UniProtP43116
Protein Data BankN/A
GPCR-HGmod modelP43116
3D structure modelThis predicted structure model is from GPCR-EXP P43116.
BioLiPN/A
Therapeutic Target DatabaseT38529
ChEMBLCHEMBL1881
IUPHAR341
DrugBankBE0000368

Ligand

Name87893-54-7
Molecular formulaC20H30O4
IUPAC name7-[5-(3-hydroxyoctylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
Molecular weight334.456
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
Synonyms7-[5-(3-hydroxyoctylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
AC1L1ET8
I"12-PGJ2 (I"12-Prostaglandin J2)
Inchi KeyTUXFWOHFPFBNEJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
PubChem CID2937
ChEMBLN/A
IUPHARN/A
BindingDB82213
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2973.0 nMPMID10634944PDSP,BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417