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

NameSCHEMBL15746102
Molecular formulaC22H27N3O3
IUPAC name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2R)-2-[(4-methylpyridin-2-yl)oxymethyl]morpholin-4-yl]ethanone
Molecular weight381.476
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM186968
US9079895, 70
Inchi KeyZGWKETCDELPQRC-WHCXFUJUSA-N
Inchi IDInChI=1S/C22H27N3O3/c1-16-7-8-23-21(11-16)28-15-19-13-24(9-10-27-19)14-22(26)25-17(2)12-18-5-3-4-6-20(18)25/h3-8,11,17,19H,9-10,12-15H2,1-2H3/t17?,19-/m1/s1
PubChem CID90181070
ChEMBLN/A
IUPHARN/A
BindingDB186968
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5705995-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
5705985-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
5706005-hydroxytryptamine receptor 2CP34968Htr2cMus musculus (Mouse)459
570601D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446

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