Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-lactamase
LigandBDBM50126829
Substrate/Competitorn/a
Meas. Tech.ChEMBL_40260 (CHEMBL877274)
IC50 1200±n/a nM
Citation McGovern, SLHelfand, BTFeng, BShoichet, BK A specific mechanism of nonspecific inhibition. J Med Chem46:4265-72 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase
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:
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWG
YADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGI
TLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVK
PSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVK
STIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSII
NGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNY
PNPARVDAAWQILNALQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50126829
n/a
NameBDBM50126829
Synonyms:(E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one | 1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one | 1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methyl-benzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenyl-propenone | CHEMBL34241 | R5648 (Rottlerin) | ROTTLERIN
TypeSmall organic molecule
Emp. Form.C30H28O8
Mol. Mass.516.5385
SMILESCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: