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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

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Ligand

NameCHEMBL101138
Molecular formulaC21H26N4O2S
IUPAC name2-[5-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
Molecular weight398.525
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsSCHEMBL8806725
BDBM50422022
2-[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]-5-benzyl-1,2,5-thiadiazolidine 1,1-dioxide
Inchi KeyNFLDDZPDKNUJJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N4O2S/c1-23(2)11-10-18-15-22-21-9-8-19(14-20(18)21)25-13-12-24(28(25,26)27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3
PubChem CID10340828
ChEMBLCHEMBL101138
IUPHARN/A
BindingDB50422022
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2220145-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
2220155-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2220165-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

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