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Target
Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B
Ligand
BDBM50061069
Substrate
n/a
Meas. Tech.
ChEMBL_161940 (CHEMBL769194)
IC50
9.7±n/a nM
Citation
 Gupta, V; Ogawa, AK; Du, X; Houk, KN; Armstrong, RW A model for binding of structurally diverse natural product inhibitors of protein phosphatases PP1 and PP2A. J Med Chem 40:3199-206 (1997) [PubMed]  Article 
Target
Name:
Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B
Synonyms:
Serine-threonine protein phosphatase 2A regulatory subunit
Type:
PROTEIN
Mol. Mass.:
49694.81
Organism:
Gallus gallus
Description:
ChEMBL_161937
Residue:
426
Sequence:
DDDVAEADIISTVEFNHCGELLATGDKGGRVVIFQQEQENKIQSHSRGEYNVYSTFQSHEPEFDYLKSLEIEEKINKIRWLPQKNAAQFLLSTNDKTIKLWKISERDKRPEGYNLKEEDGRYRDPTTVTTLRVPVFRPMDLMVEASPRRIFANAHTYHINSISINSDYETYLSADDLRINLWHLEITDRSFNIVDIKPANMEELTEVITAAEFHPNSCNTFVYSSSKGTIRLCDMRASALCDRHSKLFEEPEDPSNRSFFSEIISSISDVKFSHSGRYMMTRDYLSVKIWDLNMENRPVETYQVHEYLRSKLCSLYENDCIFDKFECCWNGSDSVVMTGSYNNFFRMFDRNTKRDITLEASRENNKPRTVLKPRKVCASGKRKKDEISVDSLDFNKKILHHAWHPKENIIAVATTNNLYIFQDKMN
  
Inhibitor
Name:
BDBM50061069
Synonyms:
CHEMBL384277 | Calyculin C
Type:
Small organic molecule
Emp. Form.:
C51H83N4O15P
Mol. Mass.:
1023.1963
SMILES:
COC[C@@H]([C@H](O)[C@H](O)C(=O)N[C@H](C)C[C@H](C)c1nc(\C=C\CC2O[C@]3(CC(O)C2C)OC([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Structure:
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