Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM2581
Substrate
n/a
Meas. Tech.
ChEMBL_40260 (CHEMBL877274)
IC50
8000±n/a nM
Citation
 McGovern, SL; Helfand, BT; Feng, B; Shoichet, BK A specific mechanism of nonspecific inhibition. J Med Chem 46:4265-72 (2003) [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:
BDBM2581
Synonyms:
3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-12-one | CHEMBL16958 | K-252c
Type:
Small organic molecule
Emp. Form.:
C20H13N3O
Mol. Mass.:
311.3367
SMILES:
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Structure:
Search PDB for entries with ligand similarity: