| Reaction Details |
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 | Report a problem with these data |
| Target | L-lactate dehydrogenase A chain |
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| Ligand | BDBM86114 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Enzyme Assay |
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| pH | 7.5±0 |
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| Temperature | 294.15±0 K |
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| IC50 | 1.32e+5±n/a nM |
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| Citation |  Ward, RA; Brassington, C; Breeze, AL; Caputo, A; Critchlow, S; Davies, G; Goodwin, L; Hassall, G; Greenwood, R; Holdgate, GA; Mrosek, M; Norman, RA; Pearson, S; Tart, J; Tucker, JA; Vogtherr, M; Whittaker, D; Wingfield, J; Winter, J; Hudson, K Design and synthesis of novel lactate dehydrogenase a inhibitors by fragment-based lead generation. J Med Chem55:3285-306 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| L-lactate dehydrogenase A chain |
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| Name: | L-lactate dehydrogenase A chain |
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| Synonyms: | Cell proliferation-inducing gene 19 protein | L-lactate dehydrogenase A | L-lactate dehydrogenase A Chain | LDH muscle subunit | LDH-A | LDH-M | LDHA | LDHA_HUMAN | Lactate dehydrogenase A (LDHA) | Renal carcinoma antigen NY-REN-59 |
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| Type: | Protein |
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| Mol. Mass.: | 36694.85 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00338::PDB Code: 4ajp |
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| Residue: | 332 |
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| Sequence: | MATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKG
EMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFI
IPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGV
HPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYE
VIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGI
SDLVKVTLTSEEEARLKKSADTLWGIQKELQF
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| BDBM86114 |
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| n/a |
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| Name | BDBM86114 |
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| Synonyms: | LDHA Inhibitor, 8 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H29N7O14P2 |
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| Mol. Mass. | 665.4421 |
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| SMILES | NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3| |
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| Structure | 
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