Reaction Details Report a problem with these data
Target
Protein RecA
Ligand
BDBM70738
Substrate
n/a
Meas. Tech.
Intein inhibitors as potential Tuberculosis drugs
IC50
46570±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:
BDBM70738
Synonyms:
(4-nitrophenyl) 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate | (4-nitrophenyl) 3-(azepan-1-ylsulfonyl)-4-methylbenzoate | 3-(1-azepanylsulfonyl)-4-methylbenzoic acid (4-nitrophenyl) ester | 3-(Azepane-1-sulfonyl)-4-methyl-benzoic acid 4-nitro-phenyl ester | 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid (4-nitrophenyl) ester | MLS000554608 | SMR000171639 | cid_1079122
Type:
Small organic molecule
Emp. Form.:
C20H22N2O6S
Mol. Mass.:
418.463
SMILES:
Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: