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

NameCHEMBL218675
Molecular formulaC24H30N4O
IUPAC name[2-methyl-4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
Molecular weight390.531
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50196123
{2-methyl-4-[4-(3,3,4-trimethylpiperazin-1-yl)phenylamino]-quinolin-3-yl}methanol
Inchi KeyAANVRTGJCGRJSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
PubChem CID16090630
ChEMBLCHEMBL218675
IUPHARN/A
BindingDB50196123
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
370Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
369Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
368Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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