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

NameFlufylline
Molecular formulaC21H24FN5O3
IUPAC name7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Molecular weight413.453
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.5
SynonymsFlufyllin
Flufylline [INN]
Flufilina [Spanish]
Flufyllinum [Latin]
Sgd 195 78
[ Show all ]
Inchi KeyPMEYQPKJAPXGPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
PubChem CID71255
ChEMBLN/A
IUPHARN/A
BindingDB81981
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5565035-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
263179Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
263180Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458

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