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

NameCHEMBL423691
Molecular formulaC19H38F3N2O7P
IUPAC name[(2S)-2-amino-3-oxo-3-(tetradecylamino)propyl] dihydrogen phosphate;2,2,2-trifluoroacetic acid
Molecular weight494.489
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyBVDDKKFUHSGVTL-NTISSMGPSA-N
Inchi IDInChI=1S/C17H37N2O5P.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15-24-25(21,22)23;3-2(4,5)1(6)7/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23);(H,6,7)/t16-;/m0./s1
PubChem CID44342243
ChEMBLCHEMBL423691
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33611Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
33610Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
33609Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
33612Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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