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

Name4490-74-8
Molecular formulaC12H13NO3
IUPAC name2-(1-hydroxy-2-methylpropan-2-yl)isoindole-1,3-dione
Molecular weight219.24
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.2
Synonyms2-(1-hydroxy-2-methylpropan-2-yl)isoindole-1,3-dione
Oprea1_416521
2-(2-hydroxy-1,1-dimethyl-ethyl)-isoindole-1,3-dione
EN300-74509
2-(1-hydroxy-2-methylpropan-2-yl)-1H-isoindole-1,3(2H)-dione
[ Show all ]
Inchi KeyBVOZNWIHPNVREJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H13NO3/c1-12(2,7-14)13-10(15)8-5-3-4-6-9(8)11(13)16/h3-6,14H,7H2,1-2H3
PubChem CID827789
ChEMBLCHEMBL2262486
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
442984Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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