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

NameCHEMBL76237
Molecular formulaC19H22N2O3S
IUPAC name2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
Molecular weight358.456
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.5
SynonymsAC1OCFKC
NCGC00371046-02
PDSP2_000370
263384-65-2
MS245
[ Show all ]
Inchi KeyAIJIQCBYMBZLJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
PubChem CID6918542
ChEMBLCHEMBL76237
IUPHARN/A
BindingDB34141
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
62765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
62755-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
62795-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
62735-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
62785-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
62775-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
62675-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
62685-hydroxytryptamine receptor 5AP35364Htr5aRattus norvegicus (Rat)357
62695-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
62745-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
6270D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
6272D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
6271D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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