Reaction Details Report a problem with these data
Target
Trypsin
Ligand
BDBM50007260
Substrate
n/a
Meas. Tech.
High-Throughput Screening Assay
IC50
33500±11500 nM
Citation
 Vasioukhin, VI; Chevillet, JR Hepsin inhibitors US Patent  US9182402 Publication Date 11/10/2015 
Target
Name:
Trypsin
Synonyms:
TRYP_PIG
Type:
PROTEIN
Mol. Mass.:
24411.24
Organism:
Sus scrofa
Description:
ChEMBL_1450738
Residue:
231
Sequence:
FPTDDDDKIVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN
  
Inhibitor
Name:
BDBM50007260
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
Type:
Small organic molecule
Emp. Form.:
C31H48O2S2
Mol. Mass.:
516.842
SMILES:
CC(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: