Reaction Details Report a problem with these data
Target
RecBCD enzyme subunit RecD
Ligand
BDBM77521
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
>39517±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:
BDBM77521
Synonyms:
(3-nitro-4-pentoxy-phenyl)methyl carbamimidothioate;hydrochloride | (3-nitro-4-pentoxyphenyl)methyl carbamimidothioate;hydrochloride | 2-(3-Nitro-4-pentyloxy-benzyl)-isothiourea | 2-(4-amoxy-3-nitro-benzyl)isothiourea;hydrochloride | MLS000552578 | SMR000146093 | carbamimidothioic acid (3-nitro-4-pentoxyphenyl)methyl ester;hydrochloride | cid_11957158
Type:
Small organic molecule
Emp. Form.:
C13H19N3O3S
Mol. Mass.:
297.373
SMILES:
CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: