Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTrypsin
LigandBDBM50007260
Substrate/Competitorn/a
Meas. Tech.High-Throughput Screening Assay
IC50 33500±11500 nM
Citation Vasioukhin, VIChevillet, JR Hepsin inhibitors US Patent US9182402 Publication Date 11/10/2015
More Info.:Get all data from this article,  Assay Method
 
Trypsin
Name:Trypsin
Synonyms:TRYP_PIG
Type:PROTEIN
Mol. Mass.:24411.24
Organism:Sus scrofa
Description:ChEMBL_1450738
Residue:231
Sequence:
FPTDDDDKIVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGE
HNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAA
GTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDS
CQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50007260
n/a
NameBDBM50007260
Synonyms:2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenol | 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol | 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol(probucol) | 2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenol | CHEMBL608 | DH-581 | Lorelco | PROBUCOL | US9182402, 14
TypeSmall organic molecule
Emp. Form.C31H48O2S2
Mol. Mass.516.842
SMILESCC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: