Reaction Details Report a problem with these data
Target
Aureobasidin-resistance protein
Ligand
BDBM50408926
Substrate
n/a
Meas. Tech.
ChEMBL_690938 (CHEMBL1634546)
IC50
0.2±n/a nM
Citation
 Aeed, PA; Young, CL; Nagiec, MM; Elhammer, AP Inhibition of inositol phosphorylceramide synthase by the cyclic peptide aureobasidin A. Antimicrob Agents Chemother 53:496-504 (2009) [PubMed]  Article 
Target
Name:
Aureobasidin-resistance protein
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
49198.67
Organism:
Neosartorya fumigata
Description:
ChEMBL_690938
Residue:
436
Sequence:
MNTTLPSWKDRTQNQFGKLQIQVPWRTIQLLVPHRMRRKIRSKLRSRISPTSSISSLQTSFSPVDTLRSLQSHRWTLYDFQYLLLLIVGIFSLSVMESPGPLAKTAAFTLLLVSLLLPITRQFFLPFLPIAGWLIFFYACQFIPSDWRPAIWVRVLPALENILYGANISNILSAHQNVVLDVLAWLPYGICHYGAPFVCSAIMFIFGPPGTVPLFARTFGYISMAAVTIQLFFPCSPPWYENLYGLAPADYSMPGNPAGLARIDELFGIDLYTSGFRQSPVVFGAFPSLHAADSTLAALFMSQVFPRLKPLFVIYTLWMWWATMYLSHHYAVDLVGGGLLATVAFYFAKTRFMPRVQNDKMFRWDYDYVEYGDSALDYGYGPASFEGEFNLDSDEWTVGSSSSISSGSLSPVDDHYSWEGETLASPATDIESGRHF
  
Inhibitor
Name:
BDBM50408926
Synonyms:
Aureobasidin A | CHEMBL1793802
Type:
Small organic molecule
Emp. Form.:
C60H92N8O11
Mol. Mass.:
1101.4195
SMILES:
CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r|
Structure:
Search PDB for entries with ligand similarity: