Reaction Details Report a problem with these data
Target
Beta-lactamase SHV-1
Ligand
BDBM50218939
Substrate
n/a
Meas. Tech.
ChEMBL_445225 (CHEMBL894369)
IC50
206±n/a nM
Citation
 Plantan, I; Selic, L; Mesar, T; Anderluh, PS; Oblak, M; Prezelj, A; Hesse, L; Andrejasic, M; Vilar, M; Turk, D; Kocijan, A; Prevec, T; Vilfan, G; Kocjan, D; Copar, A; Urleb, U; Solmajer, T 4-Substituted trinems as broad spectrum beta-lactamase inhibitors: structure-based design, synthesis, and biological activity. J Med Chem 50:4113-21 (2007) [PubMed]  Article 
Target
Name:
Beta-lactamase SHV-1
Synonyms:
BLA1_KLEPN | Beta-lactamase SHV-1 | SHV-1 beta-lactamase | bla | shv1
Type:
Protein
Mol. Mass.:
31226.68
Organism:
Klebsiella pneumoniae (Enterobacteria)
Description:
4R3B
Residue:
286
Sequence:
MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAAAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVLPAGWFIADKTGAGERGARGIVALLGPNNKAERIVVIYLRDTPASMAERNQQIAGIGAALIEHWQR
  
Inhibitor
Name:
BDBM50218939
Synonyms:
CHEMBL230332 | sodium (5S,8aS,8bR)-5-butoxy-1-eth-(E)-ylidene-2-oxo-1,2,5,6,7,8,8a,8b-octahydro-azeto[2,1-a]isoindole-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C17H22NO4
Mol. Mass.:
304.3614
SMILES:
CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
Structure:
Search PDB for entries with ligand similarity: