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

NameCHEMBL440662
Molecular formulaC14H23N5O9P2S
IUPAC name[5-[6-(methylamino)-2-propylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight499.372
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-1.3
SynonymsBDBM50076462
Phosphoric acid mono-[5-(6-methylamino-2-propylsulfanyl-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Inchi KeyHHKPIONLVLWICK-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H23N5O9P2S/c1-3-4-31-14-17-12(15-2)11-13(18-14)19(7-16-11)10-5-8(28-30(23,24)25)9(27-10)6-26-29(20,21)22/h7-10H,3-6H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)
PubChem CID44288856
ChEMBLN/A
IUPHARN/A
BindingDB50076462
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
560846P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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