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

NameCHEMBL523850
Molecular formulaC10H15N2O14P3
IUPAC name[(E)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethenyl]-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Molecular weight480.151
Hydrogen bond acceptor14
Hydrogen bond donor7
XlogP-6.1
Synonyms1-[5,6-Dideoxy-6-[(hydroxypyrophosphoroxy)phosphonyl]-beta-D-ribo-hex-5-enofuranosyl]uracil
BDBM50258290
Inchi KeyBVUTWBNYZGKPJY-LNFZUNPYSA-N
Inchi IDInChI=1S/C10H15N2O14P3/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(24-9)2-4-27(17,18)25-29(22,23)26-28(19,20)21/h1-5,7-9,14-15H,(H,17,18)(H,22,23)(H,11,13,16)(H2,19,20,21)/b4-2+/t5-,7-,8-,9-/m1/s1
PubChem CID44219764
ChEMBLCHEMBL523850
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34089P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
34088P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365

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