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

NameCHEMBL605273
Molecular formulaC15H23N5O4
IUPAC name(3R,4S,5R)-2-[6-(2,2-dimethylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight337.38
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50368580
Inchi KeyFJICLPJJPLLNRW-OYBGHCQBSA-N
Inchi IDInChI=1S/C15H23N5O4/c1-15(2,3)5-16-12-9-13(18-6-17-12)20(7-19-9)14-11(23)10(22)8(4-21)24-14/h6-8,10-11,14,21-23H,4-5H2,1-3H3,(H,16,17,18)/t8-,10-,11-,14?/m1/s1
PubChem CID46874737
ChEMBLCHEMBL605273
IUPHARN/A
BindingDB50368580
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
79774Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
79773Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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