Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50149469
Substrate
n/a
Meas. Tech.
ChEMBL_41203 (CHEMBL652839)
IC50
6±0 nM
Citation
 Tabei, K; Feng, X; Venkatesan, AM; Abe, T; Hideki, U; Mansour, TS; Siegel, MM Mechanism of inactivation of beta-lactamases by novel 6-methylidene penems elucidated using electrospray ionization mass spectrometry. J Med Chem 47:3674-88 (2004) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC
Type:
Protien
Mol. Mass.:
41561.62
Organism:
Escherichia coli
Description:
P00811
Residue:
377
Sequence:
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ
  
Inhibitor
Name:
BDBM50149469
Synonyms:
CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazin-3-yl)-meth-(Z)-ylidene]-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C13H11N4O3S
Mol. Mass.:
303.317
SMILES:
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3|
Structure:
Search PDB for entries with ligand similarity: