Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase VIM-2
Ligand
BDBM50247639
Substrate
n/a
Meas. Tech.
ChEMBL_1678300 (CHEMBL4028443)
IC50
498±n/a nM
Citation
 Gilberg, E; Gütschow, M; Bajorath, J X-ray Structures of Target-Ligand Complexes Containing Compounds with Assay Interference Potential. J Med Chem 61:1276-1284 (2018) [PubMed]  Article 
Target
Name:
Metallo-beta-lactamase VIM-2
Synonyms:
Beta-lactamase VIM-2 | Metallo-beta-lactamase VIM-2 (VIM-2)
Type:
Protein
Mol. Mass.:
28318.00
Organism:
Pseudomonas aeruginosa (g-Proteobacteria)
Description:
n/a
Residue:
266
Sequence:
MFKLLSKLLVYLTASIMAIASPLAFSVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
  
Inhibitor
Name:
BDBM50247639
Synonyms:
CHEMBL4068716
Type:
Small organic molecule
Emp. Form.:
C17H17Cl3N4O2S2
Mol. Mass.:
479.831
SMILES:
CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O
Structure:
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