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

NameMLS000561111
Molecular formulaC22H21N3O3S
IUPAC nameN-(4-methoxyphenyl)-4-methyl-5-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-1,3-thiazole-2-carboxamide
Molecular weight407.488
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsHMS2225G16
SMR000463834
HMS3340E14
CHEMBL1452972
Inchi KeyAGUJIMPYMUZLNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N3O3S/c1-14-19(22(2)13-18(25-28-22)15-7-5-4-6-8-15)29-21(23-14)20(26)24-16-9-11-17(27-3)12-10-16/h4-12H,13H2,1-3H3,(H,24,26)
PubChem CID16746102
ChEMBLCHEMBL1452972
IUPHARN/A
BindingDBN/A
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
5223Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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