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 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

NameCHEMBL187692
Molecular formulaC21H44NO2P
IUPAC namemethyl-[2-(6-tridecylpiperidin-2-yl)ethyl]phosphinic acid
Molecular weight373.562
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50152323
Methyl-[2-(6-tridecyl-piperidin-2-yl)-ethyl]-phosphinic acid
Inchi KeyCDEPDWBJGIUHRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H44NO2P/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21(22-20)18-19-25(2,23)24/h20-22H,3-19H2,1-2H3,(H,23,24)
PubChem CID44394212
ChEMBLCHEMBL187692
IUPHARN/A
BindingDB50152323
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39207Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
39208Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
39209Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
39210Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
39211Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417