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 EP4 subtype
SpeciesMus musculus (Mouse)
GenePtger4
SynonymEP2
EP4 receptor
PGE receptor EP4 subtype
PGE2 receptor EP4 subtype
prostanoid EP4 receptor
DiseaseN/A for non-human GPCRs
Length513
Amino acid sequenceMAEVGGTIPRSNRELQRCVLLTTTIMSIPGVNASFSSTPERLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGDQALCDYSTFILLFFGLSGLSIICAMSIERYLAINHAYFYSHYVDKRLAGLTLFAIYASNVLFCALPNMGLGRSERQYPGTWCFIDWTTNVTAYAAFSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAAAVASVACRGHAGASPALQRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFINQLYQPNVVKDISRNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSGRDSSAQHCSESRRTSSAMSGHSRSFLARELKEISSTSQTLLYLPDLTESSLGGRNLLPGSHGMGLTQADTTSLRTLRISETSDSSQGQDSESVLLVDEVSGSHREEPASKGNSLQVTFPSETLKLSEKCI
UniProtP32240
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2489
IUPHAR343
DrugBankN/A

Ligand

NameCHEMBL64187
Molecular formulaC19H32O5S
IUPAC name4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid
Molecular weight372.52
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
Synonyms(11R,13E,15S)-9-Oxo-11,15-dihydroxy-5-thiaprosta-13-ene-1-oic acid
BDBM50101861
4-{(S)-2-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-ethylsulfanyl}-butyric acid
Inchi KeyIXCUJFRBJKGYEX-KIQRJQQFSA-N
Inchi IDInChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-15-16(18(22)13-17(15)21)10-12-25-11-5-7-19(23)24/h8-9,14-17,20-21H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,17+/m0/s1
PubChem CID44304388
ChEMBLCHEMBL64187
IUPHARN/A
BindingDB50101861
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503.6 nMPMID11454474BindingDB,ChEMBL
Ki0.5 nMPMID11454474ChEMBL
Ki0.5 nMPMID11454474BindingDB

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