Reaction Details |
| Report a problem with these data |
Target | Thymidylate kinase |
---|
Ligand | BDBM50223790 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_450257 (CHEMBL900534) |
---|
Ki | 19200±n/a nM |
---|
Citation | Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S Rational design of 5'-thiourea-substituted alpha-thymidine analogues as thymidine monophosphate kinase inhibitors capable of inhibiting mycobacterial growth. J Med Chem50:5281-92 (2007) [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
|
|
|
BDBM50223790 |
---|
n/a |
---|
Name | BDBM50223790 |
Synonyms: | CHEMBL235090 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-morpholinophenyl)thiourea |
Type | Small organic molecule |
Emp. Form. | C21H27N5O5S |
Mol. Mass. | 461.535 |
SMILES | Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(cc3)N3CCOCC3)O2)c(=O)[nH]c1=O |
Structure |
|