Reaction Details Report a problem with these data
Target
Trypsin
Ligand
BDBM191635
Substrate
n/a
Meas. Tech.
High-Throughput Screening Assay
IC50
1710±210 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:
BDBM191635
Synonyms:
US9182402, 8
Type:
Small organic molecule
Emp. Form.:
C15H9BrCl2N4OS
Mol. Mass.:
444.133
SMILES:
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccc(Br)cc2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: