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

NameCHEMBL117663
Molecular formulaC21H41FNO4P
IUPAC name[1-fluoro-3-[[(Z)-octadec-9-enoyl]amino]propyl]phosphonic acid
Molecular weight421.534
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP6.1
SynonymsBDBM50148354
SCHEMBL13110068
[1-Fluoro-3-((Z)-octadec-9-enoylamino)-propyl]-phosphonic acid
Inchi KeyFZRVIHRVKSRALK-KTKRTIGZSA-N
Inchi IDInChI=1S/C21H41FNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-19-18-20(22)28(25,26)27/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H2,25,26,27)/b10-9-
PubChem CID44343880
ChEMBLCHEMBL117663
IUPHARN/A
BindingDB50148354
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
91234Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
91232Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
91233Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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