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

NameCHEMBL294601
Molecular formulaC11H16N4O9P2S
IUPAC name[5-(6-methylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight442.276
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP-1.9
SynonymsBDBM50062289
Phosphoric acid mono-[5-(6-methylsulfanyl-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Inchi KeyMBNHRZOEDIGOLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16N4O9P2S/c1-27-11-9-10(12-4-13-11)15(5-14-9)8-2-6(24-26(19,20)21)7(23-8)3-22-25(16,17)18/h4-8H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)
PubChem CID44299216
ChEMBLN/A
IUPHARN/A
BindingDB50062289
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
520508P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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