Reaction Details Report a problem with these data
Target
Protein RecA
Ligand
BDBM70817
Substrate
n/a
Meas. Tech.
Intein inhibitors as potential Tuberculosis drugs
IC50
19630±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:
BDBM70817
Synonyms:
4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | 4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-3-pyrazolin-3-one | 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | 4-{1-(4-fluorophenyl)-2-nitroethyl}-3-methyl-1-phenyl-1H-pyrazol-5-ol | MLS000704566 | SMR000231902 | cid_4430112
Type:
Small organic molecule
Emp. Form.:
C18H16FN3O3
Mol. Mass.:
341.3363
SMILES:
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: