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

NameCHEMBL3717415
Molecular formulaC21H22N2O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(3-hydroxybut-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight382.416
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.0
SynonymsSCHEMBL15051009
Inchi KeyFMUHXPKLGMHDNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O5/c1-14(24)2-3-15-4-5-18-16(10-15)6-7-23-19(18)11-20(22-21(23)25)28-13-17-12-26-8-9-27-17/h4-5,10-11,14,17,24H,6-9,12-13H2,1H3
PubChem CID89645412
ChEMBLCHEMBL3717415
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
523928G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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