Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50072859
Substrate
n/a
Meas. Tech.
ChEMBL_212168 (CHEMBL819016)
Ki
4000±n/a nM
Citation
 Renatus, M; Bode, W; Huber, R; Stürzebecher, J; Stubbs, MT Structural and functional analyses of benzamidine-based inhibitors in complex with trypsin: implications for the inhibition of factor Xa, tPA, and urokinase. J Med Chem 41:5445-56 (1999) [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:
BDBM50072859
Synonyms:
3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trimethyl-benzenesulfonylamino)-propyl]-benzamidine | CHEMBL358441
Type:
Small organic molecule
Emp. Form.:
C25H34N4O3S
Mol. Mass.:
470.627
SMILES:
CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Structure:
Search PDB for entries with ligand similarity: