Reaction Details Report a problem with these data
Target
Trypsin-2
Ligand
BDBM50067887
Substrate
n/a
Meas. Tech.
ChEMBL_41517 (CHEMBL656498)
IC50
>200000±n/a nM
Citation
 Weston, GS; Blázquez, J; Baquero, F; Shoichet, BK Structure-based enhancement of boronic acid-based inhibitors of AmpC beta-lactamase. J Med Chem 41:4577-86 (1998) [PubMed]  Article 
Target
Name:
Trypsin-2
Synonyms:
Anionic trypsinogen | PRSS2 | Serine protease 2 | TRY2 | TRY2_HUMAN | TRYP2 | Thrombin & trypsin | Trypsin | Trypsin II | Trypsin-2
Type:
PROTEIN
Mol. Mass.:
26479.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_41517
Residue:
247
Sequence:
MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGGSLISEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPKYNSRTLDNDILLIKLSSPAVINSRVSAISLPTAPPAAGTESLISGWGNTLSSGADYPDELQCLDAPVLSQAECEASYPGKITNNMFCVGFLEGGKDSCQGDSGGPVVSNGELQGIVSWGYGCAQKNRPGVYTKVYNYVDWIKDTIAANS
  
Inhibitor
Name:
BDBM50067887
Synonyms:
3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihydroxyborane | 3-Nitrophenyl boronic acid | Boronic acid derivative | CHEMBL20945 | m-nitophenyl boronic acid
Type:
Small organic molecule
Emp. Form.:
C6H6BNO4
Mol. Mass.:
166.927
SMILES:
O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: