Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM17282
Substrate
BDBM17139
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
18±n/a nM
Citation
 Whitlow, M; Arnaiz, DO; Buckman, BO; Davey, DD; Griedel, B; Guilford, WJ; Koovakkat, SK; Liang, A; Mohan, R; Phillips, GB; Seto, M; Shaw, KJ; Xu, W; Zhao, Z; Light, DR; Morrissey, MM Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin. Acta Crystallogr D Biol Crystallogr 55:1395-404 (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:
BDBM17282
Synonyms:
7-({6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl-1H-1,3-benzodiazol-1-yl}methyl)naphthalene-2-carboximidamide | CHEMBL173020 | Naphthylamidine template, I | ZK-806711
Type:
Small organic molecule
Emp. Form.:
C27H30N6O
Mol. Mass.:
454.5667
SMILES:
CC(=N)N1CCC(CC1)Oc1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
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:
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