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

NameCHEMBL3702021
Molecular formulaC17H22N4O2
IUPAC nameN-[4-[(2R)-morpholin-2-yl]phenyl]-5-propan-2-yloxypyrimidin-2-amine
Molecular weight314.389
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsUS8802673, 123
BDBM129481
SCHEMBL12609575
Inchi KeyDNPJSZFCXWYUTA-INIZCTEOSA-N
Inchi IDInChI=1S/C17H22N4O2/c1-12(2)23-15-9-19-17(20-10-15)21-14-5-3-13(4-6-14)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,7-8,11H2,1-2H3,(H,19,20,21)/t16-/m0/s1
PubChem CID68325412
ChEMBLCHEMBL3702021
IUPHARN/A
BindingDB129481
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
64551Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
64552Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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