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

NameCHEMBL78190
Molecular formulaC15H21N3O
IUPAC nameN-(5-tert-butyl-4-methoxy-2-methylphenyl)-1H-imidazol-2-amine
Molecular weight259.353
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50055837
(5-tert-Butyl-4-methoxy-2-methyl-phenyl)-(1H-imidazol-2-yl)-amine
Inchi KeyQELYRGGNEIAOKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N3O/c1-10-8-13(19-5)11(15(2,3)4)9-12(10)18-14-16-6-7-17-14/h6-9H,1-5H3,(H2,16,17,18)
PubChem CID10682720
ChEMBLCHEMBL78190
IUPHARN/A
BindingDB50055837
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
276266Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
276265Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
276267Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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