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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1672746
Molecular formulaC11H11FN2O3
IUPAC name5-ethyl-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Molecular weight238.218
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM50337015
5-ethyl-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
Inchi KeyAJKUHQWTPIKCLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H11FN2O3/c1-3-6-4-7(15)17-11-8(6)10(16)13-9(14-11)5(2)12/h4-5H,3H2,1-2H3,(H,13,14,16)
PubChem CID53318740
ChEMBLCHEMBL1672746
IUPHARN/A
BindingDB50337015
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
6991Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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