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

NameCHEMBL59033
Molecular formulaC19H25ClN2O3
IUPAC name8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight364.87
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
Synonyms8-{2-[2-(2-Chloro-phenoxy)-ethylamino]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
BDBM50143696
Inchi KeyBADSRELYUVTCEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25ClN2O3/c20-15-5-1-2-6-16(15)25-12-10-21-9-11-22-17(23)13-19(14-18(22)24)7-3-4-8-19/h1-2,5-6,21H,3-4,7-14H2
PubChem CID11210745
ChEMBLCHEMBL59033
IUPHARN/A
BindingDB50143696
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
187555-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
18754Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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