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Target
DNA ligase A
Ligand
BDBM22981
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
9.65e+3± 5e+2 nM
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 Research 17:189-198 (2008)    Article 
Target
Name:
DNA ligase A
Synonyms:
DNA Ligase (MtuLigA) | DNLJ_MYCTU | NAD-dependent DNA ligase | Polydeoxyribonucleotide synthase [NAD(+)] | Polydeoxyribonucleotide synthase [NAD+] | lig | ligA
Type:
Enzyme
Mol. Mass.:
75276.13
Organism:
Mycobacterium tuberculosis
Description:
The C-terminally His-tagged full-length MtuLigA protein was cloned and expressed in E. coli.
Residue:
691
Sequence:
MSSPDADQTAPEVLRQWQALAEEVREHQFRYYVRDAPIISDAEFDELLRRLEALEEQHPELRTPDSPTQLVGGAGFATDFEPVDHLERMLSLDNAFTADELAAWAGRIHAEVGDAAHYLCELKIDGVALSLVYREGRLTRASTRGDGRTGEDVTLNARTIADVPERLTPGDDYPVPEVLEVRGEVFFRLDDFQALNASLVEEGKAPFANPRNSAAGSLRQKDPAVTARRRLRMICHGLGHVEGFRPATLHQAYLALRAWGLPVSEHTTLATDLAGVRERIDYWGEHRHEVDHEIDGVVVKVDEVALQRRLGSTSRAPRWAIAYKYPPEEAQTKLLDIRVNVGRTGRITPFAFMTPVKVAGSTVGQATLHNASEIKRKGVLIGDTVVIRKAGDVIPEVLGPVVELRDGSEREFIMPTTCPECGSPLAPEKEGDADIRCPNARGCPGQLRERVFHVASRNGLDIEVLGYEAGVALLQAKVIADEGELFALTERDLLRTDLFRTKAGELSANGKRLLVNLDKAKAAPLWRVLVALSIRHVGPTAARALATEFGSLDAIAAASTDQLAAVEGVGPTIAAAVTEWFAVDWHREIVDKWRAAGVRMVDERDESVPRTLAGLTIVVTGSLTGFSRDDAKEAIVARGGKAAGSVSKKTNYVVAGDSPGSKYDKAVELGVPILDEDGFRRLLADGPASRT
  
Inhibitor
Name:
BDBM22981
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
Type:
Small organic molecule
Emp. Form.:
C33H37ClN2O7
Mol. Mass.:
609.109
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|
Structure:
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