Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM17111
Substrate
BDBM17139
Meas. Tech.
Enzyme Inhibition Assay
Ki
>10000±n/a nM
Citation
 Ye, B; Arnaiz, DO; Chou, YL; Griedel, BD; Karanjawala, R; Lee, W; Morrissey, MM; Sacchi, KL; Sakata, ST; Shaw, KJ; Wu, SC; Zhao, Z; Adler, M; Cheeseman, S; Dole, WP; Ewing, J; Fitch, R; Lentz, D; Liang, A; Light, D; Morser, J; Post, J; Rumennik, G; Subramanyam, B; Sullivan, ME; Vergona, R; Walters, J; Wang, YX; White, KA; Whitlow, M; Kochanny, MJ Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors J Med Chem 50:2967-80 (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:
BDBM17111
Synonyms:
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]methyl}thiophene-2-carboxamide | Thiophene-Anthranilamide, 13a | ZK 810388 | ZK810388
Type:
Small organic molecule
Emp. Form.:
C23H20Cl3N5O4S
Mol. Mass.:
568.86
SMILES:
COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCO2)c1Cl |t:31|
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: