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

NameCHEMBL612154
Molecular formulaC20H32N6O4
IUPAC name(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-decyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight420.514
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50369933
Inchi KeyIMWVGIWROMGXIY-BITNSZHFSA-N
Inchi IDInChI=1S/C20H32N6O4/c1-2-3-4-5-6-7-8-9-10-22-19(29)16-14(27)15(28)20(30-16)26-12-25-13-17(21)23-11-24-18(13)26/h11-12,14-16,20,27-28H,2-10H2,1H3,(H,22,29)(H2,21,23,24)/t14-,15+,16-,20?/m0/s1
PubChem CID46875307
ChEMBLCHEMBL612154
IUPHARN/A
BindingDB50369933
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1369992-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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