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

NameSCHEMBL15746091
Molecular formulaC22H27N3O3
IUPAC name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2R)-2-[(2-methylpyridin-3-yl)oxymethyl]morpholin-4-yl]ethanone
Molecular weight381.476
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM186960
US9079895, 62
Inchi KeyCOXVGVOSFMXIOC-LRTDYKAYSA-N
Inchi IDInChI=1S/C22H27N3O3/c1-16-12-18-6-3-4-7-20(18)25(16)22(26)14-24-10-11-27-19(13-24)15-28-21-8-5-9-23-17(21)2/h3-9,16,19H,10-15H2,1-2H3/t16?,19-/m1/s1
PubChem CID90181061
ChEMBLN/A
IUPHARN/A
BindingDB186960
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
5587295-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
5587305-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479

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