Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3326686
Molecular formulaC22H24F2N6O6S
IUPAC name[4-[5-fluoro-6-(2-methyl-6-methylsulfonylpyridin-3-yl)oxypyrimidin-4-yl]oxypiperidin-1-yl]-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]methanone
Molecular weight538.527
Hydrogen bond acceptor13
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50056033
Inchi KeyXAQQVIWLJYOLFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24F2N6O6S/c1-12-14(5-6-15(27-12)37(4,32)33)35-19-16(23)18(25-11-26-19)34-13-7-9-30(10-8-13)20(31)17-28-21(36-29-17)22(2,3)24/h5-6,11,13H,7-10H2,1-4H3
PubChem CID118711795
ChEMBLCHEMBL3326686
IUPHARN/A
BindingDB50056033
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
457065Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335
457066Glucose-dependent insulinotropic receptorQ7TQN8Gpr119Rattus norvegicus (Rat)468

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