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Ligand

NameCHEMBL350109
Molecular formulaC22H22N4O4S2
IUPAC nameN-benzyl-2-[4-(benzylsulfamoyl)-2-nitroanilino]ethanethioamide
Molecular weight470.562
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsN-Benzyl-2-(4-benzylsulfamoyl-2-nitro-phenylamino)-thioacetamide
BDBM50085691
Inchi KeyNFEYYZXNIXMHGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N4O4S2/c27-26(28)21-13-19(32(29,30)25-15-18-9-5-2-6-10-18)11-12-20(21)23-16-22(31)24-14-17-7-3-1-4-8-17/h1-13,23,25H,14-16H2,(H,24,31)
PubChem CID10814224
ChEMBLCHEMBL350109
IUPHARN/A
BindingDB50085691
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
221874B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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