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Literature summary for 3.4.21.5 extracted from

  • Nilsson, M.; Haemaelaeinen, M.; Ivarsson, M.; Gottfries, J.; Xue, Y.; Hansson, S.; Isaksson, R.; Fex, T.
    Compounds binding to the S2-S3 pockets of thrombin (2009), J. Med. Chem., 52, 2708-2715.
    View publication on PubMed
Search for more literature for 3.4.21.5

Crystallization (Commentary)

Crystallization (Comment) Organism
thrombin in complex with hirudin, hanging drop vapor diffusion method, using 0.05 M sodium phosphate buffer pH 7.3, 28% (w/v) PEG8000 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(2S)-1-(1,3-benzodioxol-5-ylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-(cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propanoyl]-N-methylpyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propanoyl]-N-propylpyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-methylpyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
-
 Homo sapiens
(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
-
 Homo sapiens
1-(2-amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid isobutyl-amide
-
 Homo sapiens
1-(2-cyclohexyl-2-phenylmethanesulfonylamino-acetyl)-pyrrolidine-2-carboxylic acid methylamide
-
 Homo sapiens
1-(3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid methylamide
-
 Homo sapiens
1-(3,3-diphenylpropanoyl)-N-(thiophen-2-ylmethyl)-L-prolinamide
-
 Homo sapiens
1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(cyclohexylmethyl)-L-prolinamide
-
 Homo sapiens
1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(thiophen-2-ylmethyl)-L-prolinamide
-
 Homo sapiens
1-[(2R)-2-amino-4,4-diphenylbutanoyl]-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
1-[(2R)-2-amino-4,4-diphenylbutanoyl]-N-propyl-L-prolinamide
-
 Homo sapiens
1-[(9-hydroxy-9H-fluoren-9-yl)acetyl]-N-(thiophen-2-ylmethyl)-L-prolinamide
-
 Homo sapiens
1-[2-amino-3-(4-chloro-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid methylamide
-
 Homo sapiens
1-[3-(4-chloro-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid methylamide
-
 Homo sapiens
3-(1,3-benzodioxol-5-yl)-D-alanyl-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
3-(9-hydroxy-9H-fluoren-9-yl)-D-alanyl-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
3-(9-hydroxy-9H-fluoren-9-yl)-D-alanyl-N-methyl-L-prolinamide
-
 Homo sapiens
3-(9-hydroxy-9H-fluoren-9-yl)-D-alanyl-N-propyl-L-prolinamide
-
 Homo sapiens
3-cyclohexyl-D-alanyl-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
3-cyclohexyl-D-alanyl-N-propyl-L-prolinamide
-
 Homo sapiens
4-chloro-D-phenylalanyl-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
beta-phenyl-D-phenylalanyl-N-(2-methoxyethyl)-L-prolinamide
-
 Homo sapiens
beta-phenyl-D-phenylalanyl-N-(thiophen-2-ylmethyl)-L-prolinamide
-
 Homo sapiens
beta-phenyl-D-phenylalanyl-N-methyl-L-prolinamide
-
 Homo sapiens
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
-
 Homo sapiens
Hirudin
-
 Homo sapiens
melagatran
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
fibrinogen + H2O Homo sapiens
-
 fibrin + fibrinopeptide A + fibrinopeptide B
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
fibrinogen + H2O
-
 Homo sapiens fibrin + fibrinopeptide A + fibrinopeptide B
-
 ?

Synonyms

Synonyms Comment Organism
alpha-thrombin
-
 Homo sapiens
factor IIa
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0016
-
 at 37°C Homo sapiens beta-phenyl-D-phenylalanyl-N-(thiophen-2-ylmethyl)-L-prolinamide
0.0042
-
 at 37°C Homo sapiens 1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(thiophen-2-ylmethyl)-L-prolinamide
0.013
-
 at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
0.018
-
 at 37°C Homo sapiens beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
0.02
-
 at 37°C Homo sapiens 1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(cyclohexylmethyl)-L-prolinamide
0.049
-
 at 37°C Homo sapiens 1-[(9-hydroxy-9H-fluoren-9-yl)acetyl]-N-(thiophen-2-ylmethyl)-L-prolinamide
0.089
-
 at 37°C Homo sapiens beta-phenyl-D-phenylalanyl-N-(2-methoxyethyl)-L-prolinamide
0.12
-
 at 37°C Homo sapiens 1-(3,3-diphenylpropanoyl)-N-(thiophen-2-ylmethyl)-L-prolinamide
0.12
-
 at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide
0.17
-
 at 37°C Homo sapiens 1-(2-cyclohexyl-2-phenylmethanesulfonylamino-acetyl)-pyrrolidine-2-carboxylic acid methylamide
0.21
-
 at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
0.23
-
 at 37°C Homo sapiens beta-phenyl-D-phenylalanyl-N-methyl-L-prolinamide
0.23
-
 at 37°C Homo sapiens 1-(2-amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid isobutyl-amide
0.38
-
 at 37°C Homo sapiens 3-(9-hydroxy-9H-fluoren-9-yl)-D-alanyl-N-propyl-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 3-(1,3-benzodioxol-5-yl)-D-alanyl-N-(2-methoxyethyl)-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 3-(9-hydroxy-9H-fluoren-9-yl)-D-alanyl-N-methyl-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 3-cyclohexyl-D-alanyl-N-(2-methoxyethyl)-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methoxyethyl)-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 1-[(2R)-2-amino-4,4-diphenylbutanoyl]-N-(2-methoxyethyl)-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 1-[(2R)-2-amino-4,4-diphenylbutanoyl]-N-propyl-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-(1,3-benzodioxol-5-ylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propanoyl]-N-propylpyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-(cyclohexylacetyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-methylpyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 3-cyclohexyl-D-alanyl-N-propyl-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 3-(9-hydroxy-9H-fluoren-9-yl)-D-alanyl-N-(2-methoxyethyl)-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens 4-chloro-D-phenylalanyl-N-(2-methoxyethyl)-L-prolinamide
0.4
-
 IC50 above 0.4 mM, at 37°C Homo sapiens (2S)-1-[(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propanoyl]-N-methylpyrrolidine-2-carboxamide