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

NameCHEMBL432813
Molecular formulaC20H36NO5P
IUPAC name3-[(3-methoxy-5-methyl-4-octoxyphenyl)methylamino]propylphosphonic acid
Molecular weight401.484
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.3
Synonyms[3-(3-Methoxy-5-methyl-4-octyloxy-benzylamino)-propyl]-phosphonic acid
BDBM50148419
SCHEMBL14195692
Inchi KeyLYZKFLGVDKUPAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H36NO5P/c1-4-5-6-7-8-9-12-26-20-17(2)14-18(15-19(20)25-3)16-21-11-10-13-27(22,23)24/h14-15,21H,4-13,16H2,1-3H3,(H2,22,23,24)
PubChem CID10173002
ChEMBLCHEMBL432813
IUPHARN/A
BindingDB50148419
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
199821Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
199820Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
199823Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
199822Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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