Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM14058
Substrate
BDBM12500
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7.5000±n/a
Temperature
295.1500±n/a K
Ki
>2900±n/a nM
Citation
 Maignan, S; Guilloteau, JP; Pouzieux, S; Choi-Sledeski, YM; Becker, MR; Klein, SI; Ewing, WR; Pauls, HW; Spada, AP; Mikol, V Crystal structures of human factor Xa complexed with potent inhibitors. J Med Chem 43:3226-32 (2000) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Trypsin | Cationic trypsin | Beta-Trypsin | Trypsin I | TRY1_BOVIN | PRSS1 | TRP1 | TRY1 | TRYP1
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bovine
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
  
Inhibitor
Name:
BDBM14058
Synonyms:
N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide | N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxo-pyrrolidin-3-yl]-7-thia-2-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-sulfonamide | CHEMBL316053 | RPR208815
Type:
Small organic molecule
Emp. Form.:
C21H19N5O3S2
Mol. Mass.:
453.09
SMILES:
Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r|
Structure:
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Substrate
Name:
BDBM12500
Synonyms:
N-alpha-Z-D-Arg-Gly-Arg-p-nitroanilide | N-a-Benzyloxycarbonyl-Darginyl-L-glycyl-L-arginine-pnitroaniline | Cbz-D-Arg-Gly-L-Arg-pNA | benzyl N-[(1R)-4-carbamimidamido-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]butyl]carbamate | Chromogenic Substrate S-2765
Type:
Small organic molecule
Emp. Form.:
C28H11N11O7
Mol. Mass.:
613.08
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7+]=[#6](-[#7])-[#7-])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r,w:30.30|
Structure:
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