Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM13283
Substrate
BDBM12500
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
189±n/a nM
Citation
 Choi-Sledeski, YM; McGarry, DG; Green, DM; Mason, HJ; Becker, MR; Davis, RS; Ewing, WR; Dankulich, WP; Manetta, VE; Morris, RL; Spada, AP; Cheney, DL; Brown, KD; Colussi, DJ; Chu, V; Heran, CL; Morgan, SR; Bentley, RG; Leadley, RJ; Maignan, S; Guilloteau, JP; Dunwiddie, CT; Pauls, HW Sulfonamidopyrrolidinone factor Xa inhibitors: potency and selectivity enhancements via P-1 and P-4 optimization. J Med Chem 42:3572-87 (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:
BDBM13283
Synonyms:
4-amino-3-({(3S)-3-[[(7-methoxy-2-naphthyl)sulfonyl](methyl)amino]-2-oxopyrrolidin-1-yl}methyl)benzenecarboximidamide | 4-amino-3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}benzene-1-carboximidamide | Sulfonamidopyrrolidinone 4b
Type:
Small organic molecule
Emp. Form.:
C24H27N5O4S
Mol. Mass.:
481.567
SMILES:
COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Structure:
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Substrate
Name:
BDBM12500
Synonyms:
Cbz-D-Arg-Gly-L-Arg-pNA | Chromogenic Substrate S-2765 | N-a-Benzyloxycarbonyl-Darginyl-L-glycyl-L-arginine-pnitroaniline | N-alpha-Z-D-Arg-Gly-Arg-p-nitroanilide | benzyl N-[(1R)-4-carbamimidamido-1-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]butyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C28H39N11O7
Mol. Mass.:
641.6788
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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