Reaction Details Report a problem with these data
Target
RecBCD enzyme subunit RecD
Ligand
BDBM77606
Substrate
n/a
Meas. Tech.
Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD
IC50
15157±n/a nM
Citation
 PubChem, PC Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD PubChem Bioassay (2010)[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:
BDBM77606
Synonyms:
(5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine | (5S)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)-2-imino-1-imidazolidinyl]pentyl]-2-pyrrolidinyl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine | (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)-2-iminoimidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-4,5-dihydroimidazol-2-amine | MLS002471776 | SMR001395191 | [(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-(3-cyclopentylpropyl)-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-2-imidazolin-2-yl]amine | cid_44143147
Type:
Small organic molecule
Emp. Form.:
C35H59N7
Mol. Mass.:
577.8899
SMILES:
CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23|
Structure:
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