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

NameCHEMBL3716761
Molecular formulaC26H26N2O6
IUPAC name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-9-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight462.502
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL15825988
Inchi KeyFQPSTUOCRVNDAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N2O6/c29-26-27-25(33-16-20-15-32-23-5-1-2-6-24(23)34-20)13-22-21-8-7-18(12-17(21)9-10-28(22)26)31-14-19-4-3-11-30-19/h1-2,5-8,12-13,19-20H,3-4,9-11,14-16H2
PubChem CID76684577
ChEMBLCHEMBL3716761
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523997G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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