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

NameAripiprazole
Molecular formulaC23H27Cl2N3O2
IUPAC name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular weight448.388
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
Synonyms129722-12-9
Abilify
Abilitat
Abilify Discmelt
OPC-14597
[ Show all ]
Inchi KeyCEUORZQYGODEFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
PubChem CID60795
ChEMBLCHEMBL1112
IUPHAR34
BindingDB50130293
DrugBankDB01238

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 51
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
402965-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
402995-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
403005-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
402735-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
403145-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
402725-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
402935-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
403065-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
402835-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
402755-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
403075-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
402985-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
402875-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
403035-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
402775-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
5534465-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
40279Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
40284Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
40308Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
40286Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450

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