Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameBDBM65262
Molecular formulaC22H31N2O6PS
IUPAC name[(1S,3R)-1-amino-3-[(6S)-6-[2-(1,3-thiazol-2-ylmethoxy)ethoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
Molecular weight482.532
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP-1.3
SynonymsUS9522888, 587
Inchi KeyALVZDODQAUXQPT-URVUXULASA-N
Inchi IDInChI=1S/C22H31N2O6PS/c23-22(15-30-31(25,26)27)6-5-19(13-22)17-1-2-18-12-20(4-3-16(18)11-17)29-9-8-28-14-21-24-7-10-32-21/h1-2,7,10-11,19-20H,3-6,8-9,12-15,23H2,(H2,25,26,27)/t19-,20+,22+/m1/s1
PubChem CID131953724
ChEMBLN/A
IUPHARN/A
BindingDB65262
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557520Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
557519Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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