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Target
Beta-lactamase SHV-1
Ligand
BDBM50218934
Substrate
n/a
Meas. Tech.
ChEMBL_445225 (CHEMBL894369)
IC50
148±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
More Info.:
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:
BDBM50218934
Synonyms:
CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S)-(2'-fluoroethoxy)-11-oxo-1-azatricyclo[7.2.0.03, 8]undec-2-enecarboxylate
Type:
Small organic molecule
Emp. Form.:
C15H17FNO4
Mol. Mass.:
294.2987
SMILES:
C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14|