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

NameCHEMBL199400
Molecular formulaC21H40O5PS-
IUPAC name[(2R,4R)-2-[(E)-heptadec-9-enyl]-1,3-dioxolan-4-yl]methoxy-hydroxy-oxido-sulfanylidene-lambda5-phosphane
Molecular weight435.58
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.7
SynonymsBDBM50177335
potassium O-((2R,4R)-2-(heptadec-9-enyl)-1,3-dioxolan-4-yl)methyl O-hydrogenphosphorothioate
Inchi KeyGPCDCYBCUTWZFV-OBDVNYBASA-M
Inchi IDInChI=1S/C21H41O5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-18-20(26-21)19-25-27(22,23)28/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,28)/p-1/b9-8+/t20-,21-/m1/s1
PubChem CID91936391
ChEMBLN/A
IUPHARN/A
BindingDB50177335
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
101775Lysophosphatidic acid receptor 1P61794Lpar1Rattus norvegicus (Rat)364
101777Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
101776Lysophosphatidic acid receptor 3Q8K5E0Lpar3Rattus norvegicus (Rat)354

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