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

NameCHEMBL268971
Molecular formulaC29H34ClFN4O
IUPAC name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-cyclopentylimidazolidin-2-one
Molecular weight509.066
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.5
Synonyms5-Chloro-1-(4-fluorophenyl)-3-[1-[2-(3-cyclopentyl-2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
Inchi KeyBLLJPNCXGWDQCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34ClFN4O/c30-22-5-10-28-26(19-22)27(20-35(28)25-8-6-23(31)7-9-25)21-11-13-32(14-12-21)15-16-33-17-18-34(29(33)36)24-3-1-2-4-24/h5-10,19-21,24H,1-4,11-18H2
PubChem CID15006466
ChEMBLCHEMBL268971
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26768D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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