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

NameCHEMBL320073
Molecular formulaC12H17ClN5O6P
IUPAC name[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] acetate
Molecular weight393.721
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP-0.4
Synonyms2-Chloro-9-[2-(acetoxymethyl)-3-(phosphonooxy)propyl]-N-methyl-9H-purine-6-amine
Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonomethyl-propyl ester
Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-propyl ester
BDBM50104027
Inchi KeyGRNDXUPUOYPZJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H17ClN5O6P/c1-7(19)23-4-8(5-24-25(20,21)22)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8H,3-5H2,1-2H3,(H,14,16,17)(H2,20,21,22)
PubChem CID11811300
ChEMBLCHEMBL320073
IUPHARN/A
BindingDB50104027
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
103550P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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