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

NameBrolamfetamine
Molecular formulaC11H16BrNO2
IUPAC name1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight274.158
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
SynonymsBenzeneethanamine,4-bromo-2,5-dimethoxy-.alpha.-methyl-(.+/-.)-
DTXSID5050428
NCGC00168267-02
(+)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
2,5-Dimethoxy-4-bromoamphetamine
[ Show all ]
Inchi KeyFXMWUTGUCAKGQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PubChem CID62065
ChEMBLCHEMBL6607
IUPHAR155, 163
BindingDB50005257
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
897415-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
897445-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
897425-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
897385-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
897395-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
897405-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
897435-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
897375-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
897455-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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