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Reaction Details
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Cell Reactant:Trypsin
Syringe Reactant:BDBM776
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:06/15/04
 
ΔG°:-5.43±0.0500 (kcal/mole)
pH:8±n/a
Log10Kb:3.82± 2.70
Temperature:310.15±n/a (K)
ΔH° :-2.87±0.120 (kcal/mole)
ΔHobs :-2.87±0.120 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0.0100±0 (kcal/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 Soc125:10570-9 (2003) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Trypsin
Source:no
Purity:n/a
Prep. Method:n/a
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:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVS
AAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLN
SRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQIT
SNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIK
QTIASN
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  Blast E-value cutoff:
BDBM776
Source:Synthesized
Purity:n/a
Prep. Method:n/a
NameBDBM776
Synonyms:benzamidine deriv. | isopropylbenzamidinium chloride | {amino[4-(propan-2-yl)phenyl]methylidene}azanium
Typen/a
Emp. Form.C10H15N2
Mol. Mass.163.239
SMILESCC(C)c1ccc(cc1)C(N)=[NH2+]
Structure
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Last update November 1, 2007
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