Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL198406
Molecular formulaC24H40O5PS-
IUPAC namehydroxy-[[2-[6-(4-octylphenyl)hexyl]-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-lambda5-phosphane
Molecular weight471.613
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP8.1
SynonymsBDBM50177334
potassium O-(2-(6-(4-octylphenyl)hexyl)-1,3-dioxolan-4-yl)methyl O-hydrogenphosphorothioate
Inchi KeyABVKUFQLUUADAN-UHFFFAOYSA-M
Inchi IDInChI=1S/C24H41O5PS/c1-2-3-4-5-6-9-12-21-15-17-22(18-16-21)13-10-7-8-11-14-24-27-19-23(29-24)20-28-30(25,26)31/h15-18,23-24H,2-14,19-20H2,1H3,(H2,25,26,31)/p-1
PubChem CID58758382
ChEMBLN/A
IUPHARN/A
BindingDB50177334
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
1216Lysophosphatidic acid receptor 3Q8K5E0Lpar3Rattus norvegicus (Rat)354

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