Reaction Details Report a problem with these data
Target
Protein RecA
Ligand
BDBM71242
Substrate
n/a
Meas. Tech.
Intein inhibitors as potential Tuberculosis drugs
IC50
51020±n/a nM
Citation
 PubChem, PC Intein inhibitors as potential Tuberculosis drugs PubChem Bioassay (2010)[AID] 
Target
Name:
Protein RecA
Synonyms:
DNA recombination protein RecA | RECA_MYCTU | recA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
85386.52
Organism:
Mycobacterium tuberculosis H37Rv
Description:
gi_15609874
Residue:
790
Sequence:
MTQTPDREKALELAVAQIEKSYGKGSVMRLGDEARQPISVIPTGSIALDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGVAAFIDAEHALDPDYAKKLGVDTDSLLVSQPDTGEQALEIADMLIRSGALDIVVIDSVAALVPRAELEGEMGDSHVGLQARLMSQALRKMTGALNNSGTTAIFINQLRDKIGVMFGSPETTTGGKALKFYASVRMDVRRVETLKDGTNAVGNRTRVKVVKNKCLAEGTRIFDPVTGTTHRIEDVVDGRKPIHVVAAAKDGTLHARPVVSWFDQGTRDVIGLRIAGGAIVWATPDHKVLTEYGWRAAGELRKGDRVAQPRRFDGFGDSAPIPADHARLLGYLIGDGRDGWVGGKTPINFINVQRALIDDVTRIAATLGCAAHPQGRISLAIAHRPGERNGVADLCQQAGIYGKLAWEKTIPNWFFEPDIAADIVGNLLFGLFESDGWVSREQTGALRVGYTTTSEQLAHQIHWLLLRFGVGSTVRDYDPTQKRPSIVNGRRIQSKRQVFEVRISGMDNVTAFAESVPMWGPRGAALIQAIPEATQGRRRGSQATYLAAEMTDAVLNYLDERGVTAQEAAAMIGVASGDPRGGMKQVLGASRLRRDRVQALADALDDKFLHDMLAEELRYSVIREVLPTRRARTFDLEVEELHTLVAEGVVVHNCSPPFKQAEFDILYGKGISREGSLIDMGVDQGLIRKSGAWFTYEGEQLGQGKENARNFLVENADVADEIEKKIKEKLGIGAVVTDDPSNDGVLPAPVDF
  
Inhibitor
Name:
BDBM71242
Synonyms:
2-{[4-(tert-butyl)-1,3-thiazol-2-yl]sulfanyl}-5-nitropyridine | 4-tert-butyl-2-(5-nitropyridin-2-yl)sulfanyl-1,3-thiazole | 4-tert-butyl-2-[(5-nitro-2-pyridinyl)thio]thiazole | 4-tert-butyl-2-[(5-nitro-2-pyridyl)thio]thiazole | MLS000830667 | SMR000457688 | cid_2805117
Type:
Small organic molecule
Emp. Form.:
C12H13N3O2S2
Mol. Mass.:
295.381
SMILES:
CC(C)(C)c1csc(Sc2ccc(cn2)[N+]([O-])=O)n1
Structure:
Search PDB for entries with ligand similarity: