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 | 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 Maximum [mM] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0045 | - |
dTMP | - |
Homo sapiens | |
0.0045 | - |
dTMP | - |
Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Mycobacterium tuberculosis | P9WKE1 | - |
- |
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 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 |