Target
Serine protease 1
Ligand
BDBM14326
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
pH
6.1±n/a
Temperature
295.15±n/a K
Ki
470±n/a nM
Comments
pH where Ki is lowest (pH(min)), and Ki(min) toward bovine trypsin.
Citation
 Katz, BAElrod, KVerner, EMackman, RLLuong, CShrader, WDSendzik, MSpencer, JRSprengeler, PAKolesnikov, ATai, VWHui, HCBreitenbucher, JGAllen, DJanc, JW Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J Mol Biol 329:93-120 (2003) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
  
Inhibitor
Name:
BDBM14326
Synonyms:
2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2-yl}-4-nitrobenzen-1-olate | CRA-8249
Type:
Small organic molecule
Emp. Form.:
C14H11N5O3
Mol. Mass.:
297.2688
SMILES:
NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12679
Synonyms:
BDBM13790 | BDBM14298 | Chromogenic Substrate
Type:
Small organic molecule
Emp. Form.:
C26H34N6O7S
Mol. Mass.:
574.649
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: