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Target
DNA ligase A
Ligand
BDBM22986
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
1.35e+4± 6e+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:
BDBM22986
Synonyms:
18-[6-(piperidin-1-yl)hexyl]-8-thia-18-azatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene | N-substituted tetracyclic indole | Tetracyclic indole derivative, 5
Type:
Small organic molecule
Emp. Form.:
C27H34N2S
Mol. Mass.:
418.637
SMILES:
C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1
Structure:
Search PDB for entries with ligand similarity: