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 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

NameMLS000527948
Molecular formulaC16H19N3OS
IUPAC name1-[5-(2-amino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
Molecular weight301.408
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
Synonyms1-[5-(2-aminothiazol-4-yl)indolin-1-yl]-2,2-dimethyl-propan-1-one
cid_3231177
AKOS000704197
SMR000120522
ZINC4929745
[ Show all ]
Inchi KeyAAEXTICMMYDGTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19N3OS/c1-16(2,3)14(20)19-7-6-11-8-10(4-5-13(11)19)12-9-21-15(17)18-12/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18)
PubChem CID3231177
ChEMBLCHEMBL1501014
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
155Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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