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

NameSCHEMBL1279611
Molecular formulaC22H25N5O5
IUPAC name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[2-(2-methoxyethoxy)phenyl]methyl]imidazolidine-2,4-dione
Molecular weight439.472
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.3
SynonymsCHEMBL3913870
US9247759, 10-16
BDBM211268
GETXQYNFNLCXCD-UHFFFAOYSA-N
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-(2-methoxyethoxy)benzyl)imidazolidine-2,4-dione
Inchi KeyGETXQYNFNLCXCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25N5O5/c1-15-19(16(2)32-24-15)13-26-12-18(10-23-26)27-21(28)14-25(22(27)29)11-17-6-4-5-7-20(17)31-9-8-30-3/h4-7,10,12H,8-9,11,13-14H2,1-3H3
PubChem CID57422439
ChEMBLCHEMBL3913870
IUPHARN/A
BindingDB211268
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
520095Taste receptor type 2 member 8Q9NYW2TAS2R8Homo sapiens (Human)309

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