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Cell Reactant:Thrombin
Syringe Reactant:BDBM32658
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:10/13/09
 
ΔG°:-9.31±0.0500 (kcal/mole)
pH:7.8±n/a
Log10Kb:n/a
Temperature:298.15±n/a (K)
ΔH° :n/a
ΔHobs :-8.52±0.260 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:yes
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0±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 Biol391:552-64 (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:Prothrombin
Synonyms:Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | 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:
BDBM32658
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM32658
Synonyms:m-chlorobenzylamide, 7
TypeSmall organic molecule
Emp. Form.C21H30ClN3O2
Mol. Mass.391.935
SMILESN[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
Structure
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Last update November 1, 2007
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