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Cell Reactant:Thrombin
Syringe Reactant:BDBM32656
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:10/13/09
 
ΔG°:-11.1±0.0700 (kcal/mole)
pH:7.8±n/a
Log10Kb:n/a
Temperature:298.15±n/a (K)
ΔH° :n/a
ΔHobs :-9.35±0.290 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:yes
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0.0100±0 (kcal/mole-K)
Comments:n/a
 
Citation Baum BMuley LHeine ASmolinski MHangauer DKlebe G Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. J Mol Biol 391:552-64 (2009) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Thrombin
Source:Beriplas, CSL Behring
Purity:n/a
Prep. Method:n/a
Name:Thrombin and coagulation factor X
Synonyms:Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | Prothrombin precursor | Thrombin heavy chain | Thrombin light chain
Type:Protein
Mol. Mass.:70029.57
Organism:Homo sapiens (Human)
Description:P00734
Residue:622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM32656
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM32656
Synonyms:benzamidine- based compound, 5
TypeSmall organic molecule
Emp. Form.C22H27N5O2
Mol. Mass.393.4821
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N |r|
Structure
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Last update November 1, 2007
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