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

NameCHEMBL319223
Molecular formulaC15H22N4O2S
IUPAC nameN,N-dimethyl-2-[5-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]ethanamine
Molecular weight322.427
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
SynonymsSCHEMBL8806762
BDBM50422024
2-[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
Inchi KeyJHUMJKIZFLOPBI-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H22N4O2S/c1-17(2)7-6-12-11-16-15-5-4-13(10-14(12)15)19-9-8-18(3)22(19,20)21/h4-5,10-11,16H,6-9H2,1-3H3
PubChem CID10245588
ChEMBLCHEMBL319223
IUPHARN/A
BindingDB50422024
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1513095-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
1513085-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1513105-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

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