Reaction Details Report a problem with these data
Target
Salicylate synthetase, Irp9
Ligand
BDBM50030319
Substrate
n/a
Meas. Tech.
ChEMBL_1431486 (CHEMBL3389851)
IC50
160000±n/a nM
Citation
 Meneely, KM; Luo, Q; Riley, AP; Taylor, B; Roy, A; Stein, RL; Prisinzano, TE; Lamb, AL Expanding the results of a high throughput screen against an isochorismate-pyruvate lyase to enzymes of a similar scaffold or mechanism. Bioorg Med Chem 22:5961-9 (2014) [PubMed]  Article 
Target
Name:
Salicylate synthetase, Irp9
Synonyms:
Salicylate synthetase, Irp9 | irp9
Type:
PROTEIN
Mol. Mass.:
47967.20
Organism:
Yersinia enterocolitica
Description:
ChEMBL_109499
Residue:
434
Sequence:
MKISEFLHLALPEEQWLPTISGVLRQFAEEECYVYERPPCWYLGKGCQARLHINADGTQATFIDDAGEQKWAVDSIADCARRFMAHPQVKGRRVYGQVGFNFAAHARGIAFNAGEWPLLTLTVPREELIFEKGNVTVYADSADGCRRLCEWVKEASTTTQNAPLAVDTALNGEAYKQQVARAVAEIRRGEYVKVIVSRAIPLPSRIDMPATLLYGRQANTPVRSFMFRQEGREALGFSPELVMSVTGNKVVTEPLAGTRDRMGNPEHNKAKEAELLHDSKEVLEHILSVKEAIAELEAVCLPGSVVVEDLMSVRQRGSVQHLGSGVSGQLAENKDAWDAFTVLFPSITASGIPKNAALNAIMQIEKTPRELYSGAILLLDDTRFDAALVLRSVFQDSQRCWIQAGAGIIAQSTPERELTETREKLASIAPYLMV
  
Inhibitor
Name:
BDBM50030319
Synonyms:
CHEMBL3343826
Type:
Small organic molecule
Emp. Form.:
C9H4ClNO7S
Mol. Mass.:
305.649
SMILES:
COC(=O)Oc1c(Cl)cc2oc(=O)sc2c1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: