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

NameCHEMBL334038
Molecular formulaC19H33N2O5P
IUPAC name[(2R)-2-amino-3-(4-decylanilino)-3-oxopropyl] dihydrogen phosphate
Molecular weight400.456
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50133417
N-(4-Decylphenyl)-O-phosphono-D-serinamide
CHEMBL1184130
Phosphoric acid mono-[(R)-2-amino-2-(4-decyl-phenylcarbamoyl)-ethyl] ester; TFA
Inchi KeyAPIDPHFNNKWFKH-GOSISDBHSA-N
Inchi IDInChI=1S/C19H33N2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-19(22)18(20)15-26-27(23,24)25/h11-14,18H,2-10,15,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m1/s1
PubChem CID10023913
ChEMBLN/A
IUPHARN/A
BindingDB50133417
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
11000Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
11001Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
10999Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
11002Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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