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

NameCHEMBL3716024
Molecular formulaC23H26N2O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(3-hydroxy-4-methylpent-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight410.47
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.9
SynonymsSCHEMBL15051310
Inchi KeyFQYOAZIPVGMPMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O5/c1-15(2)21(26)6-4-16-3-5-19-17(11-16)7-8-25-20(19)12-22(24-23(25)27)30-14-18-13-28-9-10-29-18/h3,5,11-12,15,18,21,26H,7-10,13-14H2,1-2H3
PubChem CID71616284
ChEMBLCHEMBL3716024
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
524003G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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