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

NameCHEMBL3717594
Molecular formulaC28H26N2O4
IUPAC name9-(naphthalen-2-ylmethoxy)-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight454.526
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsSCHEMBL15826176
Inchi KeyHGTAQQJTRAVPEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26N2O4/c31-28-29-27(34-18-24-6-3-13-32-24)16-26-25-10-9-23(15-22(25)11-12-30(26)28)33-17-19-7-8-20-4-1-2-5-21(20)14-19/h1-2,4-5,7-10,14-16,24H,3,6,11-13,17-18H2
PubChem CID76685013
ChEMBLCHEMBL3717594
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
524817G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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