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

NameCHEMBL3641729
Molecular formulaC15H16F2N4O2
IUPAC name5-(difluoromethoxy)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
Molecular weight322.316
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.0
SynonymsSCHEMBL12609698
US8802673, 179
BDBM129537
DUCFIFULTZWOSS-ZDUSSCGKSA-N
(R)-5-(difluoromethoxy)-N-(4-(morpholin-2-yl)phenyl)pyrimidin-2-amine
Inchi KeyDUCFIFULTZWOSS-ZDUSSCGKSA-N
Inchi IDInChI=1S/C15H16F2N4O2/c16-14(17)23-12-7-19-15(20-8-12)21-11-3-1-10(2-4-11)13-9-18-5-6-22-13/h1-4,7-8,13-14,18H,5-6,9H2,(H,19,20,21)/t13-/m0/s1
PubChem CID68325483
ChEMBLCHEMBL3641729
IUPHARN/A
BindingDB129537
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
68871Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
68872Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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