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:

Ligand

NameCHEMBL133910
Molecular formulaC23H43O5P
IUPAC namebutyl-[(Z)-6-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hex-4-enyl]phosphinic acid
Molecular weight430.566
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.1
SynonymsButyl-{6-[3,5-dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hex-4-enyl}-phosphinic acid
Butyl[(5Z,8R,9S,11R,12R,13E,15S)-9,11,15-trihydroxy-1-norprosta-5,13-diene-2-yl]phosphinic acid
BDBM50106551
Inchi KeyFEWXWECWZNLKLR-NVTZDDNGSA-N
Inchi IDInChI=1S/C23H43O5P/c1-3-5-9-12-19(24)14-15-21-20(22(25)18-23(21)26)13-10-7-8-11-17-29(27,28)16-6-4-2/h7,10,14-15,19-26H,3-6,8-9,11-13,16-18H2,1-2H3,(H,27,28)/b10-7-,15-14+/t19-,20+,21+,22-,23+/m0/s1
PubChem CID11133782
ChEMBLCHEMBL133910
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
76720Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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