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

NameCHEMBL572657
Molecular formulaC8H15N2O11P3
IUPAC name4-(2,4-dioxopyrimidin-1-yl)butyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Molecular weight408.132
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogP-4.1
SynonymsBDBM50378134
Inchi KeyXKMKGRDSBTULLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H15N2O11P3/c11-7-3-5-10(8(12)9-7)4-1-2-6-22(13,14)20-24(18,19)21-23(15,16)17/h3,5H,1-2,4,6H2,(H,13,14)(H,18,19)(H,9,11,12)(H2,15,16,17)
PubChem CID45481634
ChEMBLCHEMBL572657
IUPHARN/A
BindingDB50378134
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
394271P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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