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

NameSCHEMBL4534799
Molecular formulaC23H24N2O3
IUPAC name(6R)-6-(2,6-dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidin-2-one
Molecular weight376.456
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM202867
CHEMBL3952014
US9242970, 4a
Inchi KeyADMREWYBXXZUMI-LJQANCHMSA-N
Inchi IDInChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3/t19-/m1/s1
PubChem CID69081962
ChEMBLCHEMBL3952014
IUPHARN/A
BindingDB202867
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
517332Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517331Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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