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

NameCHEMBL1957438
Molecular formulaC16H19N2O8P
IUPAC name2-[(2R,3S,4R,5R)-5-(2,4-dioxo-5-phenylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
Molecular weight398.308
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP-2.0
SynonymsBDBM50366156
Inchi KeyAUMMVWNWBYWDQT-RGCMKSIDSA-N
Inchi IDInChI=1S/C16H19N2O8P/c19-12-11(6-7-27(23,24)25)26-15(13(12)20)18-8-10(14(21)17-16(18)22)9-4-2-1-3-5-9/h1-5,8,11-13,15,19-20H,6-7H2,(H,17,21,22)(H2,23,24,25)/t11-,12-,13-,15-/m1/s1
PubChem CID57403613
ChEMBLCHEMBL1957438
IUPHARN/A
BindingDB50366156
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14782P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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