Reaction Details Report a problem with these data
Target
RecBCD enzyme subunit RecD
Ligand
BDBM50387
Substrate
n/a
IC50
>118577±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:
BDBM50387
Synonyms:
1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(3-pyridyl)thiourea | 1-[[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(3-pyridinyl)thiourea | 1-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea | 1-[[(E)-[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]amino]-3-pyridin-3-yl-thiourea | MLS000416762 | SMR000241745 | cid_5807729
Type:
Small organic molecule
Emp. Form.:
C13H12N4O3S
Mol. Mass.:
304.324
SMILES:
Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
Structure:
Search PDB for entries with ligand similarity: