Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL3701983
Molecular formulaC17H20BrN3O
IUPAC name5-bromo-4-methyl-N-(2-methyl-4-morpholin-2-ylphenyl)pyridin-2-amine
Molecular weight362.271
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL12610197
BDBM129443
US8802673, 85
Inchi KeyIASSALYJNQOLQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20BrN3O/c1-11-8-17(20-9-14(11)18)21-15-4-3-13(7-12(15)2)16-10-19-5-6-22-16/h3-4,7-9,16,19H,5-6,10H2,1-2H3,(H,20,21)
PubChem CID68325823
ChEMBLCHEMBL3701983
IUPHARN/A
BindingDB129443
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
128715Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
128716Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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