Target
Accessory gene regulator protein A
Ligand
BDBM115127
Substrate
n/a
Meas. Tech.
ChEMBL_1366621 (CHEMBL3296715)
IC50
30600±n/a nM
Citation
 Figueroa, MJarmusch, AKRaja, HAEl-Elimat, TKavanaugh, JSHorswill, ARCooks, RGCech, NBOberlies, NH Polyhydroxyanthraquinones as quorum sensing inhibitors from the guttates of Penicillium restrictum and their analysis by desorption electrospray ionization mass spectrometry. J Nat Prod 77:1351-8 (2014) [PubMed]  Article 
Target
Name:
Accessory gene regulator protein A
Synonyms:
AGRA_STAAU | agr | agrA
Type:
PROTEIN
Mol. Mass.:
27903.57
Organism:
Staphylococcus aureus
Description:
ChEMBL_1366621
Residue:
238
Sequence:
MKIFICEDDPKQRENMVTIIKNYIMIEEKPMEIALATDNPYEVLEQAKNMNDIGCYFLDIQLSTDINGIKLGSEIRKHDPVGNIIFVTSHSELTYLTFVYKVAAMDFIFKDDPAELRTRIIDCLETAHTRLQLLSKDNSVETIELKRGSNSVYVQYDDIMFFESSTKSHRLIAHLDNRQIEFYGNLKELSQLDDRFFRCHNSFVVNRHNIESIDSKERIVYFKNKEHCYASVRNVKKI
  
Inhibitor
Name:
BDBM115127
Synonyms:
4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid | 4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | 4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid | 4,5,7-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid | MLS000876948 | SMR000440655 | cid_361510
Type:
Small organic molecule
Emp. Form.:
C15H8O7
Mol. Mass.:
300.2198
SMILES:
OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: