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 ●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

NameCHEMBL3144473
Molecular formulaC11H18N5O9P2+
IUPAC name[(2R,3S,5R)-5-(6-amino-1-methylpurin-1-ium-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight426.239
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-3.5
Synonyms1-Methyl-6-amino-9-(3-O,5-O-diphosphono-2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-1-ium
Inchi KeyISFCHLQYVOFFBP-XLPZGREQSA-O
Inchi IDInChI=1S/C11H17N5O9P2/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8,12H,2-3H2,1H3,(H4,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1
PubChem CID10788499
ChEMBLCHEMBL3144473
IUPHARN/A
BindingDBN/A
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
140621P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417