Reaction Details  Report a problem with these data
Cell Reactant:
Thrombin
Syringe Reactant:
BDBM32654
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
10/13/09
ΔG°:
-39.6±0.2 (kJ/mole)
pH:
7.8±n/a
Temperature:
298.15±n/a (K)
ΔHobs :
-45.6±1.4 (kJ/mole)
Corrected for ΔHioniz:
yes
ΔS° :
-0.0201±0.0054 (kJ/mole-K)
Citation
 Baum, B; Muley, L; Heine, A; Smolinski, M; Hangauer, D; Klebe, G Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. J Mol Biol 391:552-64 (2009) [PubMed]  Article
Cell React
Source:
Beriplas, CSL Behring
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:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Syringe React
Name:
BDBM32654
Synonyms:
m-chlorobenzylamide, 3
Type:
Small organic molecule
Emp. Form.:
C27H28ClN3O2
Mol. Mass.:
461.983
SMILES:
N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
Structure:
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