| Reaction Details |
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 | Report a problem with these data |
| Target | Serine/threonine-protein kinase PknB |
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| Ligand | BDBM50421672 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2269370 |
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| IC50 | 2100±n/a nM |
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| Citation |  Wlodarchak, N; Feltenberger, JB; Ye, Z; Beczkiewicz, J; Procknow, R; Yan, G; King, TM; Golden, JE; Striker, R Engineering Selectivity for Reduced Toxicity of Bacterial Kinase Inhibitors Using Structure-Guided Medicinal Chemistry. ACS Med Chem Lett12:228-235 (2021) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Serine/threonine-protein kinase PknB |
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| Name: | Serine/threonine-protein kinase PknB |
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| Synonyms: | PKNB_MYCTU | pknB |
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| Type: | PROTEIN |
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| Mol. Mass.: | 66497.93 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_774233 |
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| Residue: | 626 |
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| Sequence: | MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREA
QNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIA
DACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTA
QYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARH
EGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSA
AGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDV
QVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNV
STGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAI
TNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPP
AGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQH
NRVVYQNPPAGTGVNRDGIITLRFGQ
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| BDBM50421672 |
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| n/a |
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| Name | BDBM50421672 |
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| Synonyms: | CHEMBL5316225 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H50O16 |
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| Mol. Mass. | 750.7833 |
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| SMILES | [H][C@@]1(O[C@@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@H]2C)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r| |
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| Structure | 
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