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

NameCHEMBL168427
Molecular formulaC13H19N5O8P2
IUPAC name[4-[6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular weight435.27
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-2.5
SynonymsBDBM50085821
Phosphoric acid mono-[4-(6-methylamino-purin-9-yl)-1-phosphonooxymethyl-bicyclo[3.1.0]hex-2-yl] ester
Inchi KeyFQABQZAJQNHBSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H19N5O8P2/c1-14-11-10-12(16-5-15-11)18(6-17-10)8-2-9(26-28(22,23)24)13(3-7(8)13)4-25-27(19,20)21/h5-9H,2-4H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)
PubChem CID44380982
ChEMBLCHEMBL168427
IUPHARN/A
BindingDB50085821
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
84514P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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