Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL128329
Molecular formulaC20H24N2O
IUPAC name5-(1H-indol-3-yl)-6-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-one
Molecular weight308.425
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50012980
5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]octan-2-one
Inchi KeyMNUMPEVJOGZKBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
PubChem CID44351463
ChEMBLCHEMBL128329
IUPHARN/A
BindingDB50012980
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2100795-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421

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