| Reaction Details |
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 | Report a problem with these data |
| Target | DNA ligase A |
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| Ligand | BDBM22981 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Enzyme Assay |
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| IC50 | 9.65e+3± 5e+2 nM |
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| Citation |  Dube, C; Kukshal, V; Srivastava, SK; Tripathi, RP; Ramachandran, R NAD+-dependent DNA ligase (Rv3014c) from M. tuberculosis: Strategies for inhibitor design Medicinal Chemistry Research17:189-198 (2008) |
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| More Info.: | Get all data from this article, Assay Method |
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| DNA ligase A |
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| Name: | DNA ligase A |
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| Synonyms: | DNA Ligase (MtuLigA) | DNLJ_MYCTU | NAD-dependent DNA ligase | Polydeoxyribonucleotide synthase [NAD(+)] | Polydeoxyribonucleotide synthase [NAD+] | lig | ligA |
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| Type: | Enzyme |
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| Mol. Mass.: | 75276.13 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | The C-terminally His-tagged full-length MtuLigA protein was cloned and expressed in E. coli. |
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| Residue: | 691 |
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| Sequence: | MSSPDADQTAPEVLRQWQALAEEVREHQFRYYVRDAPIISDAEFDELLRRLEALEEQHPE
LRTPDSPTQLVGGAGFATDFEPVDHLERMLSLDNAFTADELAAWAGRIHAEVGDAAHYLC
ELKIDGVALSLVYREGRLTRASTRGDGRTGEDVTLNARTIADVPERLTPGDDYPVPEVLE
VRGEVFFRLDDFQALNASLVEEGKAPFANPRNSAAGSLRQKDPAVTARRRLRMICHGLGH
VEGFRPATLHQAYLALRAWGLPVSEHTTLATDLAGVRERIDYWGEHRHEVDHEIDGVVVK
VDEVALQRRLGSTSRAPRWAIAYKYPPEEAQTKLLDIRVNVGRTGRITPFAFMTPVKVAG
STVGQATLHNASEIKRKGVLIGDTVVIRKAGDVIPEVLGPVVELRDGSEREFIMPTTCPE
CGSPLAPEKEGDADIRCPNARGCPGQLRERVFHVASRNGLDIEVLGYEAGVALLQAKVIA
DEGELFALTERDLLRTDLFRTKAGELSANGKRLLVNLDKAKAAPLWRVLVALSIRHVGPT
AARALATEFGSLDAIAAASTDQLAAVEGVGPTIAAAVTEWFAVDWHREIVDKWRAAGVRM
VDERDESVPRTLAGLTIVVTGSLTGFSRDDAKEAIVARGGKAAGSVSKKTNYVVAGDSPG
SKYDKAVELGVPILDEDGFRRLLADGPASRT
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| BDBM22981 |
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| n/a |
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| Name | BDBM22981 |
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| Synonyms: | Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-3-{benzyl[(4-chlorophenyl)carbamoyl]amino}propanoate | glycosyl ureide-based inhibitor, 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H37ClN2O7 |
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| Mol. Mass. | 609.109 |
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| SMILES | CCOC(=O)CC(C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |r| |
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| Structure | 
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