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 EP4 subtype
SpeciesHomo sapiens (Human)
GenePTGER4
SynonymProstanoid EP4 receptor
PGE2 receptor EP4 subtype
PGE receptor EP4 subtype
EP4 receptor
EP2
DiseaseUlcerative colitis
Glaucoma
Inflammatory disease
Migraine
Osteoarthritis
[ Show all ]
Length488
Amino acid sequenceMSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
UniProtP35408
Protein Data Bank5ywy, 5yhl
GPCR-HGmod modelP35408
3D structure modelThis structure is from PDB ID 5ywy.
BioLiPBL0434347, BL0434289
Therapeutic Target DatabaseT18876
ChEMBLCHEMBL1836
IUPHAR343
DrugBankBE0003522

Ligand

Name(+)-fluprostenol
Molecular formulaC23H29F3O6
IUPAC name7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight458.474
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.9
Synonyms(+/-)16-(m-Trifluoromethylphenoxy)-tetranor-prostaglandin F2alpha
7-[3,5-dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
2-?methyl-?1S,?2,?3R,?7S,?8S,?8aR-?hexahydro-?3,?7-?dimethyl-?8-?[2-?[(2R,?4R)-?tetrahydro-?4-?hydroxy-?6-?oxo-?2H-?pyran-?2-?yl]ethyl]-?1-?naphthalenyl ester,? butanoic acid
CTK7J3299
57968-83-9
[ Show all ]
Inchi KeyWWSWYXNVCBLWNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)
PubChem CID3391
ChEMBLN/A
IUPHARN/A
BindingDB85173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID10634944PDSP,BindingDB

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