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
SpeciesHomo sapiens (Human)
GenePTGFR
SynonymProstanoid FP receptor
prostaglandin F2-alpha receptor
prostaglandin F receptor (FP)
prostaglandin F receptor
PGF2-alpha receptor
[ Show all ]
DiseaseGlaucoma
Ocular disease
Renal cancer
Dysmenorrhea
Alzheimer disease
[ Show all ]
Length359
Amino acid sequenceMSMNNSKQLVSPAAALLSNTTCQTENRLSVFFSVIFMTVGILSNSLAIAILMKAYQRFRQKSKASFLLLASGLVITDFFGHLINGAIAVFVYASDKEWIRFDQSNVLCSIFGICMVFSGLCPLLLGSVMAIERCIGVTKPIFHSTKITSKHVKMMLSGVCLFAVFIALLPILGHRDYKIQASRTWCFYNTEDIKDWEDRFYLLLFSFLGLLALGVSLLCNAITGITLLRVKFKSQQHRQGRSHHLEMVIQLLAIMCVSCICWSPFLVTMANIGINGNHSLETCETTLFALRMATWNQILDPWVYILLRKAVLKNLYKLASQCCGVHVISLHIWELSSIKNSLKVAAISESPVAEKSAST
UniProtP43088
Protein Data BankN/A
GPCR-HGmod modelP43088
3D structure modelThis predicted structure model is from GPCR-EXP P43088.
BioLiPN/A
Therapeutic Target DatabaseT75797
ChEMBLCHEMBL1987
IUPHAR344
DrugBankBE0000610

Ligand

NameCHEMBL289660
Molecular formulaC24H35F3O5
IUPAC name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pentyl]cyclopentyl]heptanoic acid
Molecular weight460.534
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.8
Synonyms7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(4-trifluoromethyl-phenyl)-pentyl]-cyclopentyl}-heptanoic acid
BDBM50090145
7-[(1R)-2beta-[(3R)-3-Hydroxy-5-[4-(trifluoromethyl)phenyl]pentyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid
Inchi KeyCLZNYVHQDWXKEA-AHJNKEMKSA-N
Inchi IDInChI=1S/C24H35F3O5/c25-24(26,27)17-10-7-16(8-11-17)9-12-18(28)13-14-20-19(21(29)15-22(20)30)5-3-1-2-4-6-23(31)32/h7-8,10-11,18-22,28-30H,1-6,9,12-15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1
PubChem CID44285161
ChEMBLCHEMBL289660
IUPHARN/A
BindingDB50090145
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503630.0 nMPMID10915040BindingDB,ChEMBL

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