Reaction Details Report a problem with these data
Target
RecBCD enzyme subunit RecD
Ligand
BDBM96268
Substrate
n/a
IC50
45776±n/a nM
Citation
 PubChem, PC Absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD PubChem Bioassay (2013)[AID] 
Target
Name:
RecBCD enzyme subunit RecD
Synonyms:
RECD_ECOLI | exonuclease V (RecBCD complex), alpha chain | hopE | recD
Type:
Enzyme Catalytic Domain
Mol. Mass.:
66906.68
Organism:
Escherichia coli str. K-12 substr. MG1655
Description:
gi_16130723
Residue:
608
Sequence:
MKLQKQLLEAVEHKQLRPLDVQFALTVAGDEHPAVTLAAALLSHDAGEGHVCLPLSRLENNEASHPLLATCVSEIGELQNWEECLLASQAVSRGDEPTPMILCGDRLYLNRMWCNERTVARFFNEVNHAIEVDEALLAQTLDKLFPVSDEINWQKVAAAVALTRRISVISGGPGTGKTTTVAKLLAALIQMADGERCRIRLAAPTGKAAARLTESLGKALRQLPLTDEQKKRIPEDASTLHRLLGAQPGSQRLRHHAGNPLHLDVLVVDEASMIDLPMMSRLIDALPDHARVIFLGDRDQLASVEAGAVLGDICAYANAGFTAERARQLSRLTGTHVPAGTGTEAASLRDSLCLLQKSYRFGSDSGIGQLAAAINRGDKTAVKTVFQQDFTDIEKRLLQSGEDYIAMLEEALAGYGRYLDLLQARAEPDLIIQAFNEYQLLCALREGPFGVAGLNERIEQFMQQKRKIHRHPHSRWYEGRPVMIARNDSALGLFNGDIGIALDRGQGTRVWFAMPDGNIKSVQPSRLPEHETTWAMTVHKSQGSEFDHAALILPSQRTPVVTRELVYTAVTRARRRLSLYADERILSAAIATRTERRSGLAALFSSRE
  
Inhibitor
Name:
BDBM96268
Synonyms:
(2S)-2-[(5-ethyl-8-keto-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butyric acid | (2S)-2-[(5-ethyl-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonylamino]-3-methyl-butanoic acid | (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methylbutanoic acid | (2S)-2-[[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinolin-7-yl)-oxomethyl]amino]-3-methylbutanoic acid | MLS001215948 | SMR000544720 | cid_8022634
Type:
Small organic molecule
Emp. Form.:
C18H20N2O6
Mol. Mass.:
360.3612
SMILES:
CCn1cc(C(=O)N[C@@H](C(C)C)C(O)=O)c(=O)c2cc3OCOc3cc12
Structure:
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