Reaction Details Report a problem with these data
Target
Inositol phosphorylceramide synthase
Ligand
BDBM50333121
Substrate
n/a
Meas. Tech.
ChEMBL_690936 (CHEMBL1634544)
IC50
0.6±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:
Inositol phosphorylceramide synthase
Synonyms:
AUR1 | AUR1_CANAL | Aureobasidin A resistance protein homolog | IPC synthase | Phosphatidylinositol:ceramide phosphoinositol transferase
Type:
PROTEIN
Mol. Mass.:
53452.25
Organism:
Candida albicans
Description:
ChEMBL_690931
Residue:
471
Sequence:
MASSILRSKIIQKPYQLFHYYFLSEKAPGSTVSDLNFDTNIQTSLRKLKHHHWTVGEIFHYGFLVSILFFVFVVFPASFFIKLPIILAFATCFLIPLTSQFFLPALPVFTWLALYFTCAKIPQEWKPAITVKVLPAMETILYGDNLSNVLATITTGVLDILAWLPYGIIHFSFPFVLAAIIFLFGPPTALRSFGFAFGYMNLLGVLIQMAFPAAPPWYKNLHGLEPANYSMHGSPGGLGRIDKLLGVDMYTTGFSNSSIIFGAFPSLHSGCCIMEVLFLCWLFPRFKFVWVTYASWLWWSTMYLTHHYFVDLIGGAMLSLTVFEFTKYKYLPKNKEGLFCRWSYTEIEKIDIQEIDPLSYNYIPINSNDNESRLYTRVYQESQVSPPSRAETPEAFEMSNFSRSRQSSKTQVPLSNLTNNDQVPGINEEDEEEEGDEISSSTPSVFEDEPQGSTYAASSATSVDDLDSKRN
  
Inhibitor
Name:
BDBM50333121
Synonyms:
CHEMBL1631582 | Khafrefungin
Type:
Small organic molecule
Emp. Form.:
C33H56O9
Mol. Mass.:
596.7923
SMILES:
CCCCCCCCCC[C@H](C)[C@@H](O)[C@@H](C)C=C(C)C=C(C)C(=O)[C@H](C)C=C(C)C(=O)O[C@H](CO)[C@@H](O)[C@H](O)C(O)=O |r,w:19.18,17.17,27.27|
Structure:
Search PDB for entries with ligand similarity: