Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 2.7.4.9 extracted from

  • Familiar, O.; Munier-Lehmann, H.; Negri, A.; Gago, F.; Douguet, D.; Rigouts, L.; Hernandez, A.I.; Camarasa, M.J.; Perez-Perez, M.J.
    Exploring acyclic nucleoside analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase (2008), ChemMedChem, 3, 1083-1093.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
molecular dynamics simulation of interaction with acyclic nucleoside analogue inhibitors. Key interaction of residue R95 and the distal substituent Homo sapiens
molecular dynamics simulation of interaction with acyclic nucleoside analogue inhibitors. Key interaction of residue R95 and the distal substituent Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(Z)-1-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[c,d]indol-2(1H)one
-
Mycobacterium tuberculosis
(Z)-2-(4-(5-bromouracil-1-yl)but-2-enyl)-1H-benzo[d,e] isoquinoline-1,3(2H)-dione
-
Mycobacterium tuberculosis
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione
-
Mycobacterium tuberculosis
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2,3-dihydro-1H-benzo-[d,e]isoquinolin-1-one
-
Mycobacterium tuberculosis
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2H-naphtho[1,8 cd]isothiazole-1,1-dioxide
-
Mycobacterium tuberculosis
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-6-nitrobenzo[c,d]indol-2(1H)one
-
Mycobacterium tuberculosis
additional information acyclic nucleoside analogues (Z)-2-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione and (Z)-2-(4-(thymin-1-yl)but-2-enyl)-2,3-dihydro-1H-benzo-[d,e]isoquinolin-1-one are not inhibitory up to 0.02 mM Homo sapiens
thymidine
-
Mycobacterium tuberculosis

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.0045
-
dTMP
-
Homo sapiens
0.0045
-
dTMP
-
Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Mycobacterium tuberculosis P9WKE1
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + dTMP
-
Homo sapiens ADP + dTDP
-
?
ATP + dTMP
-
Mycobacterium tuberculosis ADP + dTDP
-
?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00027
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2H-naphtho[1,8 cd]isothiazole-1,1-dioxide pH 7.4 Mycobacterium tuberculosis
0.00042
-
(Z)-1-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[c,d]indol-2(1H)one pH 7.4 Mycobacterium tuberculosis
0.00075
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-6-nitrobenzo[c,d]indol-2(1H)one pH 7.4 Mycobacterium tuberculosis
0.0011
-
(Z)-2-(4-(5-bromouracil-1-yl)but-2-enyl)-1H-benzo[d,e] isoquinoline-1,3(2H)-dione pH 7.4 Mycobacterium tuberculosis
0.0014
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-2,3-dihydro-1H-benzo-[d,e]isoquinolin-1-one pH 7.4 Mycobacterium tuberculosis
0.0019
-
(Z)-2-(4-(thymin-1-yl)but-2-enyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione pH 7.4 Mycobacterium tuberculosis
0.027
-
thymidine pH 7.4 Mycobacterium tuberculosis