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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL122047
Molecular formulaC25H30ClFN4O2
IUPAC name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one
Molecular weight472.989
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL8112813
1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-3-isopropyl-imidazolidin-2-one
BDBM50053206
Inchi KeyAAJVCKWMBZMPTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30ClFN4O2/c1-18(2)30-13-12-29(25(30)32)11-10-28(3)14-15-33-24-17-31(21-7-5-20(27)6-8-21)23-16-19(26)4-9-22(23)24/h4-9,16-18H,10-15H2,1-3H3
PubChem CID10528455
ChEMBLCHEMBL122047
IUPHARN/A
BindingDB50053206
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
2605-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
261Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
262D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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