Reaction Details Report a problem with these data
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, BA; Elrod, K; Verner, E; Mackman, RL; Luong, C; Shrader, WD; Sendzik, M; Spencer, JR; Sprengeler, PA; Kolesnikov, A; Tai, VW; Hui, HC; Breitenbucher, JG; Allen, D; Janc, 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
More Info.:
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