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

Name3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Molecular formulaC17H17NO5S2
IUPAC name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
Molecular weight379.445
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
Synonyms(4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
CHEMBL1538195
AC1LD8XV
MolPort-000-776-312
AQ-149/43372347
[ Show all ]
Inchi KeyAOPHYELNPJEHSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17NO5S2/c19-6-8-23-7-5-18-14(11-3-1-9-24-11)13(16(21)17(18)22)15(20)12-4-2-10-25-12/h1-4,9-10,14,19,21H,5-8H2
PubChem CID663185
ChEMBLCHEMBL1538195
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
464160fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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