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

NameCHEMBL469244
Molecular formulaC17H27N4O10P
IUPAC name(2S,3S,4R,5R)-N-[2-(2-diethoxyphosphorylethylamino)-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight478.395
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP-3.0
Synonyms2-[2-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)ethylamido]ethylphosphonic acid diethyl ester
BDBM50262312
SCHEMBL13210981
Inchi KeyHXNIHRMRMDMGRU-KNCOVGOOSA-N
Inchi IDInChI=1S/C17H27N4O10P/c1-3-29-32(28,30-4-2)8-6-18-11(23)9-19-15(26)14-12(24)13(25)16(31-14)21-7-5-10(22)20-17(21)27/h5,7,12-14,16,24-25H,3-4,6,8-9H2,1-2H3,(H,18,23)(H,19,26)(H,20,22,27)/t12-,13+,14-,16+/m0/s1
PubChem CID24949229
ChEMBLCHEMBL469244
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
126431P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
126433P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
126432P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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