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

NameSMR000109040
Molecular formulaC15H13NO4S2
IUPAC name(4Z)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one
Molecular weight335.392
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
Synonyms(4Z)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-5(4H)-one
ZINC3000824
2-(allylthio)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-1,3-thiazol-5(4H)-one
HMS2156G09
BDBM83490
[ Show all ]
Inchi KeyABLYHHAPJOFYQH-YHYXMXQVSA-N
Inchi IDInChI=1S/C15H13NO4S2/c1-3-4-21-15-16-10(14(17)22-15)5-9-6-11(18-2)13-12(7-9)19-8-20-13/h3,5-7H,1,4,8H2,2H3/b10-5-
PubChem CID2297013
ChEMBLCHEMBL1309404
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
950Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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