Reaction Details Report a problem with these data
Target
Beta-lactamase SHV-5
Ligand
BDBM50315411
Substrate
n/a
Meas. Tech.
ChEMBL_626043 (CHEMBL1106171)
IC50
570±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 SHV-5
Synonyms:
BLA5_KLEPN | bla | shv5
Type:
PROTEIN
Mol. Mass.:
31257.78
Organism:
Klebsiella pneumoniae
Description:
ChEMBL_754353
Residue:
286
Sequence:
MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAAAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVLPAGWFIADKTGASKRGARGIVALLGPNNKAERIVVIYLRDTPASMAERNQQIAGIGAALIEHWQR
  
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:
Search PDB for entries with ligand similarity: