Home Research COVID-19 Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL521096
Molecular formulaC24H28FN5O2
IUPAC name7-ethoxy-4-(2-fluoro-4-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
Molecular weight437.519
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.9
SynonymsSCHEMBL1276332
Inchi KeyBBUGAAUSTUTTDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28FN5O2/c1-4-32-22-13-20-16(12-21(22)30-9-7-29(3)8-10-30)23(17(14-27-20)24(26)31)28-19-6-5-15(2)11-18(19)25/h5-6,11-14H,4,7-10H2,1-3H3,(H2,26,31)(H,27,28)
PubChem CID24757965
ChEMBLCHEMBL521096
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
19853Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
19852Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
19854Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450

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