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

NameCHEMBL3701918
Molecular formulaC15H15F3N4O
IUPAC nameN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
Molecular weight324.307
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.0
SynonymsSCHEMBL12609922
BDBM129377
US8802673, 19
Inchi KeyIZVLGWFAACSWFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H15F3N4O/c16-15(17,18)11-7-20-14(21-8-11)22-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-4,7-8,13,19H,5-6,9H2,(H,20,21,22)
PubChem CID68325656
ChEMBLCHEMBL3701918
IUPHARN/A
BindingDB129377
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
145606Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
145605Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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