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:

Ligand

Namealpha-fluoromethylenephosphonate
Molecular formulaC23H44FO6P
IUPAC name[(3S)-1-fluoro-3-methoxy-4-[(E)-octadec-9-enoyl]oxybutyl]phosphonic acid
Molecular weight466.571
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.6
Synonyms[(3S)-1-fluoro-3-methoxy-4-[(9E)-octadec-9-enoyloxy]butyl]phosphonic acid
D0D5OY
GTPL2915
CHEMBL190717
Inchi KeyKGVHPTQYUKZZPY-VXECIVMWSA-N
Inchi IDInChI=1S/C23H44FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)30-20-21(29-2)19-22(24)31(26,27)28/h10-11,21-22H,3-9,12-20H2,1-2H3,(H2,26,27,28)/b11-10+/t21-,22?/m0/s1
PubChem CID44400349
ChEMBLCHEMBL190717
IUPHAR2915
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
168845Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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