Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50315411
Substrate
n/a
Meas. Tech.
ChEMBL_626044 (CHEMBL1106172)
IC50
1200±n/a nM
Citation
 Tan, Q; Ogawa, AM; Painter, RE; Park, YW; Young, K; DiNinno, FP 4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity. Bioorg Med Chem Lett 20:2622-4 (2010) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_PSEAE | ampC | beta-Lactamase
Type:
Enzyme
Mol. Mass.:
43406.87
Organism:
Pseudomonas aeruginosa (PAO1)
Description:
P24735
Residue:
397
Sequence:
MRDTRFPCLCGIAASTLLFATTPAIAGEAPADRLKALVDAAVQPVMKANDIPGLAVAISLKGEPHYFSYGLASKEDGRRVTPETLFEIGSVSKTFTATLAGYALTQDKMRLDDRASQHWPALQGSRFDGISLLDLATYTAGGLPLQFPDSVQKDQAQIRDYYRQWQPTYAPGSQRLYSNPSIGLFGYLAARSLGQPFERLMEQQVFPALGLEQTHLDVPEAALAQYAQGYGKDDRPLRVGPGPLDAEGYGVKTSAADLLRFVDANLHPERLDRPWAQALDATHRGYYKVGDMTQGLGWEAYDWPISLKRLQAGNSTPMALQPHRIARLPAPQALEGQRLLNKTGSTNGFGAYVAFVPGRDLGLVILANRNYPNAERVKIAYAILSGLEQQGKVPLKR
  
Inhibitor
Name:
BDBM50315411
Synonyms:
4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl boronic acid | CHEMBL1089781
Type:
Small organic molecule
Emp. Form.:
C9H8BCl2NO4S2
Mol. Mass.:
340.011
SMILES:
OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
Structure:
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