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

NameCHEMBL3701984
Molecular formulaC17H20N4O
IUPAC name5-cyclopropyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
Molecular weight296.374
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.0
SynonymsSCHEMBL12609641
BDBM129444
US8802673, 86
Inchi KeyLTCPIUJIWPHWDB-INIZCTEOSA-N
Inchi IDInChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m0/s1
PubChem CID68325448
ChEMBLCHEMBL3701984
IUPHARN/A
BindingDB129444
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
195801Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
195800Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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