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

NameCHEMBL3969837
Molecular formulaC20H25N3O2
IUPAC name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-2-yloxymethyl)morpholine
Molecular weight339.439
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.7
SynonymsN/A
Inchi KeyDSTWBFPFQZUGGQ-SFHVURJKSA-N
Inchi IDInChI=1S/C20H25N3O2/c1-2-6-19-17(5-1)8-10-23(19)12-11-22-13-14-24-18(15-22)16-25-20-7-3-4-9-21-20/h1-7,9,18H,8,10-16H2/t18-/m0/s1
PubChem CID134153781
ChEMBLCHEMBL3969837
IUPHARN/A
BindingDBN/A
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
5486935-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
5486915-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
548694D(3) dopamine receptorP30728Drd3Mus musculus (Mouse)446
548692D(4) dopamine receptorP51436Drd4Mus musculus (Mouse)387

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