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

NameCHEMBL286246
Molecular formulaC11H10N2S
IUPAC name5-(6,7-dihydro-1-benzothiophen-4-yl)-1H-imidazole
Molecular weight202.275
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.1
Synonyms6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole
ZINC4805849
BDBM50085680
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
[ Show all ]
Inchi KeyBAADWHDQAKDYLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
PubChem CID9815610
ChEMBLCHEMBL286246
IUPHARN/A
BindingDB50085680
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18664Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
18666Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
18663Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
18665Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450

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