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

NameCHEMBL1951033
Molecular formulaC22H31N5O6S
IUPAC namepropan-2-yl 4-[5-ethoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Molecular weight493.579
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50364560
SCHEMBL387057
Inchi KeyAPWQZAPNNAEDMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N5O6S/c1-6-31-19-20(26-17-7-8-18(25-15(17)4)34(5,29)30)23-13-24-21(19)33-16-9-11-27(12-10-16)22(28)32-14(2)3/h7-8,13-14,16H,6,9-12H2,1-5H3,(H,23,24,26)
PubChem CID11663249
ChEMBLCHEMBL1951033
IUPHARN/A
BindingDB50364560
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
11415Glucose-dependent insulinotropic receptorQ7TQN8Gpr119Rattus norvegicus (Rat)468
11416Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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