Reaction Details |
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Target | Thymidylate kinase |
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Ligand | BDBM50498085 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1461346 (CHEMBL3396196) |
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IC50 | 420±n/a nM |
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Citation | Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M Structure guided lead generation for M. tuberculosis thymidylate kinase (Mtb TMK): discovery of 3-cyanopyridone and 1,6-naphthyridin-2-one as potent inhibitors. J Med Chem58:753-66 (2015) [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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BDBM50498085 |
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n/a |
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Name | BDBM50498085 |
Synonyms: | CHEMBL3394151 |
Type | Small organic molecule |
Emp. Form. | C20H14N2O4 |
Mol. Mass. | 346.3362 |
SMILES | COc1cccc(c1)-c1cc(-c2ccc(cc2)C(O)=O)c(C#N)c(=O)[nH]1 |
Structure |
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