Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50324679
Substrate
n/a
Meas. Tech.
ChEMBL_650320 (CHEMBL1224978)
Ki
5000000±n/a nM
Citation
 Babaoglu, K; Shoichet, BK Deconstructing fragment-based inhibitor discovery. Nat Chem Biol 2:720-3 (2006) [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:
BDBM50324679
Synonyms:
2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID | 2-acetamidothiophene-3-carboxylate | 2-acetamidothiophene-3-carboxylic acid | CHEMBL1213612
Type:
Small organic molecule
Emp. Form.:
C7H7NO3S
Mol. Mass.:
185.2
SMILES:
CC(=O)Nc1sccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: