Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50129567
Substrate
n/a
Meas. Tech.
ChEMBL_41216 (CHEMBL652852)
IC50
17000±n/a nM
Citation
Sandanayaka, VP; Prashad, AS; Yang, Y; Williamson, RT; Lin, YI; Mansour, TS Spirocyclopropyl beta-lactams as mechanism-based inhibitors of serine beta-lactamases. Synthesis by rhodium-catalyzed cyclopropanation of 6-diazopenicillanate sulfone. J Med Chem 46:2569-71 (2003) [PubMed] Article
More Info.:
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ENTCL | ampC
Type:
PROTEIN
Mol. Mass.:
41306.67
Organism:
Enterobacter cloacae
Description:
ChEMBL_40258
Residue:
381
Sequence:
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQWQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARVEAAYHILEALQ
Inhibitor
Name:
BDBM50129567
Synonyms:
(2R,5R,6R)-2'-(tert-Butyl-dimethyl-silanyl-oxy)-3,3-dimethyl-7-oxo-4-thia-1-azaspiro[bicyclo[3.2.0]heptane-6,1'-cyclopropane]-2-carboxylic acid 4,4-dioxide | CHEMBL86750
Type:
Small organic molecule
Emp. Form.:
C16H27NO6SSi
Mol. Mass.:
389.539
SMILES:
CC(C)(C)[Si](C)(C)O[C@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O