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

NameCHEMBL572897
Molecular formulaC9H17N2O12P3
IUPAC name[5-(2,4-dioxopyrimidin-1-yl)pentoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight438.158
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-3.7
SynonymsBDBM50378124
Inchi KeyQNCWJADBBBISGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H17N2O12P3/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-21-25(17,18)23-26(19,20)22-24(14,15)16/h4,6H,1-3,5,7H2,(H,17,18)(H,19,20)(H,10,12,13)(H2,14,15,16)
PubChem CID45481783
ChEMBLCHEMBL572897
IUPHARN/A
BindingDB50378124
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
282259P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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