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

NameCHEMBL92139
Molecular formulaC18H20N2O2S
IUPAC name2-[1-(benzenesulfonyl)indol-4-yl]-N,N-dimethylethanamine
Molecular weight328.43
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.5
SynonymsSCHEMBL7245193
BDBM50106249
1-(Phenylsulfonyl)-4-[2-(dimethylamino)ethyl]-1H-indole
[2-(1-Benzenesulfonyl-1H-indol-4-yl)-ethyl]-dimethyl-amine
Inchi KeyGIHFRARKMBMXPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
PubChem CID9862256
ChEMBLCHEMBL92139
IUPHARN/A
BindingDB50106249
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
971665-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
971625-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
971605-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
971615-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
971705-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
971635-hydroxytryptamine receptor 5AP35364Htr5aRattus norvegicus (Rat)357
971685-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
971645-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
97165D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
97167D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
97169D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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