Reaction Details Report a problem with these data
Target
Accessory gene regulator protein A
Ligand
BDBM50499939
Substrate
n/a
Meas. Tech.
ChEMBL_1543079 (CHEMBL3744201)
IC50
2500±n/a nM
Citation
 Igarashi, Y; Yamamoto, K; Fukuda, T; Shojima, A; Nakayama, J; Carro, L; Trujillo, ME Arthroamide, a Cyclic Depsipeptide with Quorum Sensing Inhibitory Activity from Arthrobacter sp. J Nat Prod 78:2827-31 (2015) [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:
BDBM50499939
Synonyms:
CHEMBL3740058
Type:
Small organic molecule
Emp. Form.:
C54H68N8O13
Mol. Mass.:
1037.1635
SMILES:
[H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)\C(=C/c2ccc(O)cc2)N(C)C(=O)[C@@H](NC(=O)\C=C\c2ccccc2\C=C/CCC)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O)[C@H](C)O |r|
Structure:
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