| Reaction Details |
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 | Report a problem with these data |
| Target | Pyruvate kinase |
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| Ligand | BDBM50192869 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1448600 |
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| IC50 | 16±n/a nM |
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| Citation |  Horbert, R; Pinchuk, B; Johannes, E; Schlosser, J; Schmidt, D; Cappel, D; Totzke, F; Schächtele, C; Peifer, C Optimization of potent DFG-in inhibitors of platelet derived growth factor receptorß (PDGF-Rß) guided by water thermodynamics. J Med Chem58:170-82 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Pyruvate kinase |
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| Name: | Pyruvate kinase |
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| Synonyms: | KPYK_STAAR | PK | pyk |
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| Type: | PROTEIN |
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| Mol. Mass.: | 63128.44 |
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| Organism: | Staphylococcus aureus (strain MRSA252) |
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| Description: | ChEMBL_1434805 |
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| Residue: | 585 |
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| Sequence: | MRKTKIVCTIGPASESEEMIEKLINAGMNVARLNFSHGSHEEHKGRIDTIRKVAKRLDKI
VAILLDTKGPEIRTHNMKDGIIELERGNEVIVSMNEVEGTPEKFSVTYENLINDVQVGSY
ILLDDGLIELQVKDIDHAKKEVKCDILNSGELKNKKGVNLPGVRVSLPGITEKDAEDIRF
GIKENVDFIAASFVRRPSDVLEIREILEEQKANISVFPKIENQEGIDNIEEILEVSDGLM
VARGDMGVEIPPEKVPMVQKDLIRQCNKLGKPVITATQMLDSMQRNPRATRAEASDVANA
IYDGTDAVMLSGETAAGLYPEEAVKTMRNIAVSAEAAQDYKKLLSDRTKLVETSLVNAIG
ISVAHTALNLNVKAIVAATESGSTARTISKYRPHSDIIAVTPSEETARQCSIVWGVQPVV
KKGRKSTDALLNNAVATAVETGRVTNGDLIIITAGVPTGETGTTNMMKIHLVGDEIANGQ
GIGRGSVVGTTLVAETVKDLEGKDLSDKVIVTNSIDETFVPYVEKALGLITEENGITSPS
AIVGLEKGIPTVVGVEKAVKNISNNVLVTIDAAQGKIFEGYANVL
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| BDBM50192869 |
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| n/a |
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| Name | BDBM50192869 |
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| Synonyms: | CIS-3,4-DIHYDROHAMACANTHIN B |
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| Type | Small organic molecule |
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| Emp. Form. | C20H16Br2N4O |
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| Mol. Mass. | 488.175 |
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| SMILES | Brc1ccc2c(c[nH]c2c1)[C@@H]1CNC(=O)[C@@H](N1)c1c[nH]c2cc(Br)ccc12 |r| |
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| Structure | 
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