Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM17240
Substrate
BDBM17139
Meas. Tech.
Enzyme Inhibition Assay
Ki
>5000±n/a nM
Citation
 Kochanny, MJ; Adler, M; Ewing, J; Griedel, BD; Ho, E; Karanjawala, R; Lee, W; Lentz, D; Liang, AM; Morrissey, MM; Phillips, GB; Post, J; Sacchi, KL; Sakata, ST; Subramanyam, B; Vergona, R; Walters, J; White, KA; Whitlow, M; Ye, B; Zhao, Z; Shaw, KJ Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa. Bioorg Med Chem 15:2127-46 (2007) [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:
BDBM17240
Synonyms:
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(morpholin-4-ylmethyl)thiophene-2-carboxamide | thiophene-containing non-amidine inhibitor, 33
Type:
Small organic molecule
Emp. Form.:
C23H20Cl3N3O3S
Mol. Mass.:
524.847
SMILES:
Clc1c(CN2CCOCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM17139
Synonyms:
(2S)-2-[(2R)-2-amino-3-methylbutanamido]-N-[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]-4-methylpentanamide dihydrochloride | Chromogenic Substrate S-2266 | H-D-Val-Leu-Arg-pNA ¿¿¿¿ 2HCl | H-D-Val-Leu-Arg-pNA · 2HCl | H-D-Valyl-L-leucyl-L-argininep-Nitroaniline dihydrochloride
Type:
Small organic molecule
Emp. Form.:
C23H38N8O5
Mol. Mass.:
506.5984
SMILES:
CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCC\[NH+]=C(/N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: