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

NameCHEMBL2017139
Molecular formulaC22H45O6PS
IUPAC name(3-dihydroxyphosphinothioyloxy-2-methoxypropyl) octadecanoate
Molecular weight468.63
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP8.4
SynonymsBDBM50381022
Inchi KeyAYKYANCQUONAPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H45O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h21H,3-20H2,1-2H3,(H2,24,25,30)
PubChem CID46223906
ChEMBLCHEMBL2017139
IUPHARN/A
BindingDB50381022
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17545Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
17543Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
17546Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353
17544Lysophosphatidic acid receptor 4Q99677LPAR4Homo sapiens (Human)370
17547Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372
17542Lysophosphatidic acid receptor 6P43657LPAR6Homo sapiens (Human)344

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