Reaction Details Report a problem with these data
Target
Trypsin-2
Ligand
BDBM50067898
Substrate
n/a
Meas. Tech.
ChEMBL_41517 (CHEMBL656498)
IC50
>100000±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:
BDBM50067898
Synonyms:
3-(5-(dimethylamino)naphthalene-1-sulfonamido)phenylboronic acid | CHEMBL140740 | m(dansylamidophenyl)boronic acid
Type:
Small organic molecule
Emp. Form.:
C18H19BN2O4S
Mol. Mass.:
370.23
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Structure:
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