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

NameCHEMBL608003
Molecular formulaC19H22N6O6
IUPAC name(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight430.421
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP-0.5
SynonymsBDBM50369928
Inchi KeyLQAZHNHWXDUXTM-FRLFKWGPSA-N
Inchi IDInChI=1S/C19H22N6O6/c1-29-10-4-3-9(5-11(10)30-2)6-21-18(28)15-13(26)14(27)19(31-15)25-8-24-12-16(20)22-7-23-17(12)25/h3-5,7-8,13-15,19,26-27H,6H2,1-2H3,(H,21,28)(H2,20,22,23)/t13-,14+,15-,19?/m0/s1
PubChem CID46875320
ChEMBLCHEMBL608003
IUPHARN/A
BindingDB50369928
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
1936642-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337

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