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

NameCHEMBL1956200
Molecular formulaC12H16N2O3S
IUPAC name2-[1-(2-methylsulfonylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
Molecular weight268.331
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM50419882
Inchi KeyBUVSDNNKXQXCRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N2O3S/c1-9(12-13-7-8-14-12)17-10-5-3-4-6-11(10)18(2,15)16/h3-6,9H,7-8H2,1-2H3,(H,13,14)
PubChem CID57400959
ChEMBLCHEMBL1956200
IUPHARN/A
BindingDB50419882
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
33397Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
33395Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
33396Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417