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

NameMLS000673602
Molecular formulaC20H20FN5O4S2
IUPAC name1-(2-fluorophenyl)-3-(2-hydroxy-1-methyl-5-morpholin-4-ylsulfonylindol-3-yl)iminothiourea
Molecular weight477.529
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.8
Synonyms1-(2-fluorophenyl)-3-[(Z)-[1-methyl-5-(4-morpholinylsulfonyl)-2-oxo-3-indolylidene]amino]thiourea
MCULE-8887298835
(3Z)-1-methyl-5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione 3-[N-(2-fluorophenyl)thiosemicarbazone]
BDBM54336
SMR000314843
[ Show all ]
Inchi KeyAHYFIPCUISVDBK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN5O4S2/c1-25-17-7-6-13(32(28,29)26-8-10-30-11-9-26)12-14(17)18(19(25)27)23-24-20(31)22-16-5-3-2-4-15(16)21/h2-7,12,27H,8-11H2,1H3,(H,22,31)
PubChem CID4196731
ChEMBLCHEMBL1308615
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
557448Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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