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 DMFold 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

NameCHEMBL339944
Molecular formulaC21H26N2
IUPAC name3-(3-piperidin-1-yl-2-bicyclo[2.2.2]oct-5-enyl)-1H-indole
Molecular weight306.453
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50012983
3-(3-Piperidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-1H-indole
Inchi KeyRBUWJVDSTORLDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2/c1-4-12-23(13-5-1)21-16-10-8-15(9-11-16)20(21)18-14-22-19-7-3-2-6-17(18)19/h2-3,6-8,10,14-16,20-22H,1,4-5,9,11-13H2
PubChem CID44351288
ChEMBLCHEMBL339944
IUPHARN/A
BindingDB50012983
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
2924335-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421

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