Reaction Details |
| Report a problem with these data |
Target | Thymidylate kinase |
---|
Ligand | BDBM50359625 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_936739 (CHEMBL2319891) |
---|
Ki | 170±n/a nM |
---|
Citation | Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors. Bioorg Med Chem21:257-68 (2012) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Thymidylate kinase |
---|
Name: | Thymidylate kinase |
Synonyms: | KTHY_MYCTU | TMPK | Thymidine monophosphate kinase | dTMP kinase | tmk |
Type: | PROTEIN |
Mol. Mass.: | 22636.29 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_208218 |
Residue: | 214 |
Sequence: | MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLA
SSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWV
QRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYA
ELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
|
|
|
BDBM50359625 |
---|
n/a |
---|
Name | BDBM50359625 |
Synonyms: | CHEMBL1928435 |
Type | Small organic molecule |
Emp. Form. | C18H18ClF3N4O3S2 |
Mol. Mass. | 494.939 |
SMILES | Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=S |r| |
Structure |
|