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 DMFold 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

NameCHEMBL61207
Molecular formulaC17H21BrN2O2
IUPAC name4-[[2-(4-bromo-2,5-dimethoxyphenyl)ethylamino]methyl]aniline
Molecular weight365.271
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50038671
N-(4-Aminobenzyl)-2-(4-bromo-2,5-dimethoxyphenyl)ethanamine
4-{[2-(4-Bromo-2,5-dimethoxy-phenyl)-ethylamino]-methyl}-phenylamine
Inchi KeyAPPULWQRPHJFSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21BrN2O2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11,19H2,1-2H3
PubChem CID9998906
ChEMBLCHEMBL61207
IUPHARN/A
BindingDB50038671
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
112205-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
112215-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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