Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

Nameoxymetazoline
Molecular formulaC16H24N2O
IUPAC name6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Molecular weight260.381
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.9
Synonyms1491-59-4
2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-6-tert-butyl-phenol
3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol
6-t-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol
[ Show all ]
Inchi KeyWYWIFABBXFUGLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
PubChem CID4636
ChEMBLCHEMBL762
IUPHAR124
BindingDB30712
DrugBankDB00935

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 41
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3857625-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3857795-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3857585-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3857675-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3857605-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3857775-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
3857615-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3857705-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5570985-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3857475-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3857685-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3857835-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3857665-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5570965-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
385746Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
385771Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
385776Alpha-1A adrenergic receptorQ9WU25ADRA1ACavia porcellus (Guinea pig)466
385780Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
385753Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
385754Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515

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