Reaction Details  Report a problem with these data
Cell Reactant:
Thrombin
Syringe Reactant:
BDBM32658
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
2009-10-13
ΔG°:
-9.35±0.93 (kcal/mole)
pH:
7.8000±n/a
Temperature:
298.1500±n/a (K)
ΔHobs :
-7.56±0.17 (kJ/mole)
Corrected for ΔHioniz:
yes
ΔS° :
0.01±0 (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:
THRB_HUMAN | F2 | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | Prothrombin precursor | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Human
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Syringe React
Name:
BDBM32658
Synonyms:
m-chlorobenzylamide, 7
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: