Reaction Details 
Report a problem with these data
Report a problem with these dataCell Reactant:
Trypsin
Syringe Reactant:
BDBM774
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
06/15/04
ΔG°:
-25.5±0.2 (kJ/mole)
pH:
8±n/a
Log10Kb:
3.3
Temperature:
303.15±n/a (K)
ΔH° :
-17.3±0.5 (kJ/mole)
ΔHobs :
-17.3±0.5 (kJ/mole)
Corrected for ΔHioniz:
not known
ΔS° :
0.0271±0.002 (kJ/mole-K)
Comments:
Since the inhibitor contains some NH4Cl, control experiment was performed with 10 wt % NH4Cl added to a benzamidinium chloride solution at the usual concentration. Within error, the thermodynamic parameters were identical. Therefore, the concentration of inhibitor, based on weight, can be safely corrected for the amount of NH4Cl present.
Citation
Talhout, R; Villa, A; Mark, AE; Engberts, JB Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin. J Am Chem Soc 125:10570-9 (2003) [PubMed] ArticleCell React
Source:
no
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
Syringe React
Source:
Synthesized
Name:
BDBM774
Synonyms:
[amino(4-ethylphenyl)methylidene]azanium | benzamidine deriv. | p-ethylbenzamidinium chloride
Type:
n/a
Emp. Form.:
C9H13N2
Mol. Mass.:
149.2124
SMILES:
CCc1ccc(cc1)C(N)=[NH2+]
Structure:
