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

NameCHEMBL3718999
Molecular formulaC24H25N3O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(6-ethoxypyridin-3-yl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight435.48
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.3
SynonymsSCHEMBL15051007
Inchi KeyAXUGDRKDFNZHBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3O5/c1-2-30-22-6-4-18(13-25-22)16-3-5-20-17(11-16)7-8-27-21(20)12-23(26-24(27)28)32-15-19-14-29-9-10-31-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3
PubChem CID71617561
ChEMBLCHEMBL3718999
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
521980G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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