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

NameCHEMBL267549
Molecular formulaC25H28ClFN4O
IUPAC name1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one
Molecular weight454.974
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
Synonyms1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one
BDBM50002004
SCHEMBL8636687
5-Chloro-1-(4-fluorophenyl)-3-[1-[3-(2-oxo-1-imidazolidinyl)propyl]-4-piperidinyl]-1H-indole
Inchi KeyCXAQDXCWRCDSDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28ClFN4O/c26-19-2-7-24-22(16-19)23(17-31(24)21-5-3-20(27)4-6-21)18-8-13-29(14-9-18)11-1-12-30-15-10-28-25(30)32/h2-7,16-18H,1,8-15H2,(H,28,32)
PubChem CID15006460
ChEMBLCHEMBL267549
IUPHARN/A
BindingDB50002004
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
52635D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444
52636D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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