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

NameCHEMBL3641733
Molecular formulaC16H20N4O3
IUPAC name4,6-dimethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
Molecular weight316.361
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM129541
SCHEMBL12610076
US8802673, 183
Inchi KeyBEDHMXIJNIYXFG-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H20N4O3/c1-21-14-9-15(22-2)20-16(19-14)18-12-5-3-11(4-6-12)13-10-17-7-8-23-13/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
PubChem CID68325759
ChEMBLCHEMBL3641733
IUPHARN/A
BindingDB129541
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
21466Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
21465Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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