Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50111591
Substrate
n/a
Meas. Tech.
ChEMBL_216013 (CHEMBL820515)
IC50
133000±n/a nM
Citation
 McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 45:1712-22 (2002) [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:
BDBM50111591
Synonyms:
4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benzene-1,2-diol | CHEMBL34034
Type:
Small organic molecule
Emp. Form.:
C15H10F2N2O2S
Mol. Mass.:
320.314
SMILES:
Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
Structure:
Search PDB for entries with ligand similarity: