Reaction Details |
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Target | Decaprenyl diphosphate synthase |
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Ligand | BDBM97434 |
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Substrate/Competitor | n/a |
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Meas. Tech. | DPPS Inhibition (GPP based) Assay |
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pH | 7.5±n/a |
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IC50 | 8.4e+3±n/a nM |
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Comments | extracted |
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Citation | Kim, MO; Feng, X; Feixas, F; Zhu, W; Lindert, S; Bogue, S; Sinko, W; de Oliveira, C; Rao, G; Oldfield, E; McCammon, JA A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery. Chem Biol Drug Des85:756-69 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Decaprenyl diphosphate synthase |
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Name: | Decaprenyl diphosphate synthase |
Synonyms: | DPDS_MYCTO | cis-Decaprenyl diphosphate synthase (cis-DPPS) | uppS |
Type: | Protein |
Mol. Mass.: | 33800.02 |
Organism: | Mycobacterium tuberculosis H37Rv |
Description: | n/a |
Residue: | 296 |
Sequence: | MARDARKRTSSNFPQLPPAPDDYPTFPDTSTWPVVFPELPAAPYGGPCRPPQHTSKAAAP
RIPADRLPNHVAIVMDGNGRWATQRGLARTEGHKMGEAVVIDIACGAIELGIKWLSLYAF
STENWKRSPEEVRFLMGFNRDVVRRRRDTLKKLGVRIRWVGSRPRLWRSVINELAVAEEM
TKSNDVITINYCVNYGGRTEITEATREIAREVAAGRLNPERITESTIARHLQRPDIPDVD
LFLRTSGEQRSSNFMLWQAAYAEYIFQDKLWPDYDRRDLWAACEEYASRTRRFGSA
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BDBM97434 |
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n/a |
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Name | BDBM97434 |
Synonyms: | 100873, 18 | BPH-1375 |
Type | Small molecule |
Emp. Form. | C28H26N8O4 |
Mol. Mass. | 538.5572 |
SMILES | NC(=O)c1cc(NC(=O)c2ccc(cc2)C(=O)Nc2cc(cc(c2)C2=NCCN2)C(N)=O)cc(c1)C1=NCCN1 |t:26,39| |
Structure |
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