Reaction Details |
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Target | Tuberculosinyl adenosine transferase |
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Ligand | BDBM25288 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Rv3378c Inhibition Assay |
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IC50 | 2.1e+2±n/a nM |
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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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Tuberculosinyl adenosine transferase |
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Name: | Tuberculosinyl adenosine transferase |
Synonyms: | Diterpene synthase | TUBAT_MYCTO | Tuberculosinyl adenosine synthase (Rv3378c) |
Type: | Protein |
Mol. Mass.: | 34026.59 |
Organism: | Mycobacterium tuberculosis H37Rv |
Description: | n/a |
Residue: | 296 |
Sequence: | MNLVSEKEFLDLPLVSVAEIVRCRGPKVSVFPFDGTRRWFHLECNPQYDDYQQAALRQSI
RILKMLFEHGIETVISPIFSDDLLDRGDRYIVQALEGMALLANDEEILSFYKEHEVHVLF
YGDYKKRLPSTAQGAAVVKSFDDLTISTSSNTEHRLCFGVFGNDAAESVAQFSISWNETH
GKPPTRREIIEGYYGEYVDKADMFIGFGRFSTFDFPLLSSGKTSLYFTVAPSYYMTETTL
RRILYDHIYLRHFRPKPDYSAMSADQLNVLRNRYRAQPDRVFGVGCVHDGIWFAEG
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BDBM25288 |
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n/a |
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Name | BDBM25288 |
Synonyms: | BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-1-phosphonoethyl]phosphonic acid | bisphosphonate, 8 |
Type | Small organic molecule |
Emp. Form. | C20H18O8P2 |
Mol. Mass. | 448.2996 |
SMILES | OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O |
Structure |
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