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

NameCHEMBL3701963
Molecular formulaC16H18BrN3O
IUPAC name4-bromo-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
Molecular weight348.244
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM129422
SCHEMBL12610006
US8802673, 64
Inchi KeyLBXYGWOKITZEHQ-OAHLLOKOSA-N
Inchi IDInChI=1S/C16H18BrN3O/c1-11-9-19-16(8-14(11)17)20-13-4-2-12(3-5-13)15-10-18-6-7-21-15/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20)/t15-/m1/s1
PubChem CID68325720
ChEMBLCHEMBL3701963
IUPHARN/A
BindingDB129422
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
183706Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
183705Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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