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Literature summary for 2.1.1.45 extracted from

  • Czyzyk, D.J.; Valhondo, M.; Deiana, L.; Tirado-Rives, J.; Jorgensen, W.L.; Anderson, K.S.
    Structure activity relationship towards design of Cryptosporidium specific thymidylate synthase inhibitors (2019), Eur. J. Med. Chem., 183, 111673 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 2.1.1.45

Cloned(Commentary)

Cloned (Comment) Organism
-
 Cryptosporidium hominis

Crystallization (Commentary)

Crystallization (Comment) Organism
structures in complex with inhibitors. Active site rigidity is a driving force in determining inhibitor selectivity Cryptosporidium hominis

Inhibitors

Inhibitors Comment Organism Structure
2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanophenyl)acetic acid
-
 Cryptosporidium hominis
2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
-
 Cryptosporidium hominis
2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl) acetic acid
-
 Cryptosporidium hominis
2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido) terephthalic acid
-
 Cryptosporidium hominis
2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chloro benzoic acid
-
 Cryptosporidium hominis
2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid
-
 Cryptosporidium hominis
3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid
-
 Cryptosporidium hominis

Organism

Organism UniProt Comment Textmining
Cryptosporidium hominis A0A2Z1FET6 bifunctional dihydrofolate reductase-thymidylate synthase
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.009
-
 25°C, pH not specified in the publication Cryptosporidium hominis 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanophenyl)acetic acid
0.01
-
 25°C, pH not specified in the publication Cryptosporidium hominis 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid
0.011
-
 25°C, pH not specified in the publication Cryptosporidium hominis 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
0.011
-
 25°C, pH not specified in the publication Cryptosporidium hominis 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid
0.016
-
 25°C, pH not specified in the publication Cryptosporidium hominis 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl) acetic acid
0.018
-
 25°C, pH not specified in the publication Cryptosporidium hominis 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido) terephthalic acid
0.028
-
 25°C, pH not specified in the publication Cryptosporidium hominis 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chloro benzoic acid