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

NameCHEMBL2086679
Molecular formulaC19H24FN5O3
IUPAC nametert-butyl 4-[5-[(3-fluoropyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
Molecular weight389.431
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP1.8
SynonymsBDBM50420846
Inchi KeyKNLSFFCJVSXZSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24FN5O3/c1-19(2,3)28-18(26)25-8-6-24(7-9-25)17-22-10-15(11-23-17)27-13-14-4-5-21-12-16(14)20/h4-5,10-12H,6-9,13H2,1-3H3
PubChem CID60155457
ChEMBLCHEMBL2086679
IUPHARN/A
BindingDB50420846
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
173473Glucose-dependent insulinotropic receptorQ7TQP3Gpr119Mus musculus (Mouse)335
173474Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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