Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameMLS000685650
Molecular formulaC16H12N2O3S2
IUPAC name(5Z)-3-anilino-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight344.403
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.1
Synonyms(5Z)-3-anilino-5-[(3,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
ZINC1269285
(5Z)-5-[[3,4-bis(oxidanyl)phenyl]methylidene]-3-phenylazanyl-2-sulfanylidene-1,3-thiazolidin-4-one
HMS2620J17
(5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
[ Show all ]
Inchi KeyATKORQIIELSXJL-ZROIWOOFSA-N
Inchi IDInChI=1S/C16H12N2O3S2/c19-12-7-6-10(8-13(12)20)9-14-15(21)18(16(22)23-14)17-11-4-2-1-3-5-11/h1-9,17,19-20H/b14-9-
PubChem CID1630995
ChEMBLCHEMBL1575649
IUPHARN/A
BindingDB47430
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14043Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
14041Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
14042Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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