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

NameCHEMBL167191
Molecular formulaC12H19N5O9P2
IUPAC name[5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxan-3-yl] dihydrogen phosphate
Molecular weight439.258
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-3.1
SynonymsPhosphoric acid mono-[5-(6-methylamino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-pyran-3-yl] ester
BDBM50085823
Inchi KeyJAOJJWGDZVGRSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H19N5O9P2/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(26-28(21,22)23)9(24-3-7)4-25-27(18,19)20/h5-9H,2-4H2,1H3,(H,13,14,15)(H2,18,19,20)(H2,21,22,23)
PubChem CID44380885
ChEMBLCHEMBL167191
IUPHARN/A
BindingDB50085823
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
146120P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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