Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL584184
Molecular formulaC9H17N2O11P3
IUPAC name5-(2,4-dioxopyrimidin-1-yl)pentyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Molecular weight422.159
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogP-3.7
SynonymsBDBM50378133
SCHEMBL624295
Inchi KeyKIDOXWQUUCRMFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H17N2O11P3/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-23(14,15)21-25(19,20)22-24(16,17)18/h4,6H,1-3,5,7H2,(H,14,15)(H,19,20)(H,10,12,13)(H2,16,17,18)
PubChem CID45481635
ChEMBLCHEMBL584184
IUPHARN/A
BindingDB50378133
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
169727P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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