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 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

NameCHEMBL267304
Molecular formulaC25H29FN4O
IUPAC name1-[2-[4-[1-(4-fluorophenyl)-5-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular weight420.532
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
Synonyms1-(2-{4-[1-(4-Fluoro-phenyl)-5-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
BDBM50002008
SCHEMBL8642590
1-(4-Fluorophenyl)-5-methyl-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
Inchi KeyARZIOMWQBRPJMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29FN4O/c1-18-2-7-24-22(16-18)23(17-30(24)21-5-3-20(26)4-6-21)19-8-11-28(12-9-19)14-15-29-13-10-27-25(29)31/h2-7,16-17,19H,8-15H2,1H3,(H,27,31)
PubChem CID15006457
ChEMBLCHEMBL267304
IUPHARN/A
BindingDB50002008
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12937D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
12938D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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