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

NameBDBM50303334
Molecular formulaC12H18N2O14P2-2
IUPAC name[2,3-dihydroxypropoxy(oxido)phosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular weight476.224
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-5.7
SynonymsDiphosphoric Acid 1-r-Glycerol Ester 2-(Uridine-5''-yl)ester,di ammonium Salt
Inchi KeyNTWBENDTKLFVBT-JANFQQFMSA-L
Inchi IDInChI=1S/C12H20N2O14P2/c15-3-6(16)4-25-29(21,22)28-30(23,24)26-5-7-9(18)10(19)11(27-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t6?,7-,9-,10-,11-/m1/s1
PubChem CID91933948
ChEMBLN/A
IUPHARN/A
BindingDB50303334
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
232024P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338
232025P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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