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

NameCHEMBL299691
Molecular formulaC21H28FN3O2
IUPAC name8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight373.472
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.9
Synonyms8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
SCHEMBL6751064
8-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-8-azaspiro[4.5]decane-7,9-dione
BDBM50143674
CYDFRMLIERPUGG-UHFFFAOYSA-N
Inchi KeyCYDFRMLIERPUGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
PubChem CID9864325
ChEMBLCHEMBL299691
IUPHARN/A
BindingDB50143674
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533825-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
53384Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
53387Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
53385Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
53381Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
53388Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
53383D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
53386D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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