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 F2-alpha receptor
SpeciesBos taurus (Bovine)
GenePTGFR
SynonymPGF receptor
PGF2-alpha receptor
Prostanoid FP receptor
DiseaseN/A for non-human GPCRs
Length362
Amino acid sequenceMSTNSSIQPVSPESELLSNTTCQLEEDLSISFSIIFMTVGILSNSLAIAILMKAYQRFRQKYKSSFLLLASALVITDFFGHLINGTIAVFVYASDKDWIYFDKSNILCSIFGICMVFSGLCPLFLGSLMAIERCIGVTKPIFHSTKITTKHVKMMLSGVCFFAVFVALLPILGHRDYKIQASRTWCFYKTDEIKDWEDRFYLLLFAFLGLLALGISFVCNAITGISLLKVKFRSQQHRQGRSHHFEMVIQLLGIMCVSCICWSPFLVTMASIGMNIQDFKDSCERTLFTLRMATWNQILDPWVYILLRKAVLRNLYVCTRRCCGVHVISLHVWELSSIKDSLKVAAISDLPVTEKVTQQTST
UniProtP37289
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4820
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL315519
Molecular formulaC23H31N3O6
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(4-azido-2-hydroxyphenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight445.516
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.3
Synonyms(S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid
BDBM50020306
Inchi KeyOIIBJRRMFXGDNC-SLVAOXGGSA-N
Inchi IDInChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1
PubChem CID44322588
ChEMBLCHEMBL315519
IUPHARN/A
BindingDB50020306
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50220000.0 nMPMID2909739BindingDB,ChEMBL

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