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

NameRWJ-68354
Molecular formulaC19H15FN4O
IUPAC name2-(4-fluorophenyl)-4-methoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
Molecular weight334.354
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.3
SynonymsCHEMBL115769
2-(4-FLUOROPHENYL)-4-METHOXY-3-(PYRIDIN-4-YL)-1H-PYRROLO[2,3-B]PYRIDIN-6-AMINE
D06NUL
rwj68354
SCHEMBL149547
[ Show all ]
Inchi KeyADQZGIYHFQQPRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
PubChem CID9819053
ChEMBLCHEMBL115769
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29935-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2994Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
2992Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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