Reaction Details Report a problem with these data
Target
Yersiniabactin siderophore biosynthetic protein
Ligand
BDBM50376521
Substrate
n/a
Meas. Tech.
ChEMBL_477384 (CHEMBL928172)
IC50
200±n/a nM
Citation
 Stirrett, KL; Ferreras, JA; Jayaprakash, V; Sinha, BN; Ren, T; Quadri, LE Small molecules with structural similarities to siderophores as novel antimicrobials against Mycobacterium tuberculosis and Yersinia pestis. Bioorg Med Chem Lett 18:2662-8 (2008) [PubMed]  Article 
Target
Name:
Yersiniabactin siderophore biosynthetic protein
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
57211.99
Organism:
Yersinia pestis CA88-4125
Description:
ChEMBL_477384
Residue:
525
Sequence:
MNSSFESLIEQYPLPIAEQLRHWAARYASRIAVVDAKGSLTYSALDAQVDELAAGLSSLGLRSGEHVIVQLPNDNAFVTLLFALLRLGVIPVLAMPSQRALDIDALIELAQPVAYVIHGENHAELARQMAHKHACLRHVLVAGETVSDDFTPLFSLHGERQAWPQPDVSATALLLLSGGTTGTPKLIPRRHADYSYNFSASAELCGISQQSVYLAVLPVAHNFPLACPGILGTLACGGKVVLTDSASCDEVMPLIAQERVTHVALVPALAQLWVQAREWEDSDLSSLRVIQAGGARLDPTLAEQVIATFDCTLQQVFGMAEGLLCFTRLDDPHATILHSQGRPLSPLDEIRIVDQDENDVAPGETGQLLTRGPYTISGYYRAPAHNAQAFTAQGFYRTGDNVRLDEVGNLHVEGRIKEQINRAGEKIAAAEVESALLRLAEVQDCAVVAAPDTLLGERICAFIIAQQVPTDYQQLRQQLTRMGLSAWKIPDQIEFLDHWPLTAVGKIDKKRLTALAVDRYRHSAQ
  
Inhibitor
Name:
BDBM50376521
Synonyms:
CHEMBL258440
Type:
Small organic molecule
Emp. Form.:
C24H23N3O5S
Mol. Mass.:
465.522
SMILES:
COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccccc1OC)c1ccc(O)cc1O |c:12|
Structure:
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