Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL596148
Molecular formulaC18H20N2O2S
IUPAC name2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N,N-dimethylethanamine
Molecular weight328.43
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL3566291
BDBM35231
3-(phenylsulfonyl)-1H-indole, 18a
Inchi KeyAHCAMFIUFHMBFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
PubChem CID24861136
ChEMBLCHEMBL596148
IUPHARN/A
BindingDB35231
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
54215-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471

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