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

NameCHEMBL201482
Molecular formulaC19H41O5PS
IUPAC name[(2R)-2,3-dioctoxypropoxy]-dihydroxy-sulfanylidene-lambda5-phosphane
Molecular weight412.566
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.8
Synonyms(R)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosphorothioate
BDBM50176390
SCHEMBL14515951
Inchi KeyPLCCQSPJUXGEHV-LJQANCHMSA-N
Inchi IDInChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m1/s1
PubChem CID11625765
ChEMBLCHEMBL201482
IUPHARN/A
BindingDB50176390
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
262445Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
262446Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
262444Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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