Reaction Details |
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Target | Thymidylate kinase |
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Ligand | BDBM50223819 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_450257 (CHEMBL900534) |
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Ki | 3800±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Thymidylate kinase |
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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
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BDBM50223819 |
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n/a |
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Name | BDBM50223819 |
Synonyms: | CHEMBL393394 | N-(3',5'-dideoxy-2',3'-didehydro-alpha-D-thymidin-5'-yl)-N-(3-trifluoromethyl-4-chlorophenyl)thiourea |
Type | Small organic molecule |
Emp. Form. | C18H16ClF3N4O3S |
Mol. Mass. | 460.858 |
SMILES | Cc1cn([C@H]2O[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)C=C2)c(=O)[nH]c1=O |c:24| |
Structure |
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