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

NameMLS000054921
Molecular formulaC14H15NO3
IUPAC name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
Molecular weight245.278
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.3
Synonymscid_2113808
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
AC1M2APX
SMR000066842
1-[2-(2,5-dimethylphenyl)-2-keto-ethyl]pyrrolidine-2,5-quinone
[ Show all ]
Inchi KeyABRXQVRQIGDIBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15NO3/c1-9-3-4-10(2)11(7-9)12(16)8-15-13(17)5-6-14(15)18/h3-4,7H,5-6,8H2,1-2H3
PubChem CID2113808
ChEMBLCHEMBL1469819
IUPHARN/A
BindingDB37394
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1114Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
1113Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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