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

NameCHEMBL3718665
Molecular formulaC22H26N2O5
IUPAC name2,9-bis(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight398.459
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.3
SynonymsSCHEMBL15825959
Inchi KeyDFBLFEOEHLUIJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O5/c25-22-23-21(29-14-18-4-2-10-27-18)12-20-19-6-5-16(11-15(19)7-8-24(20)22)28-13-17-3-1-9-26-17/h5-6,11-12,17-18H,1-4,7-10,13-14H2
PubChem CID76684574
ChEMBLCHEMBL3718665
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
523254G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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