Reaction Details
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Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B
Ligand
BDBM50110693
Substrate
n/a
Meas. Tech.
ChEMBL_198013 (CHEMBL799065)
IC50
3.4±n/a nM
Citation
McCluskey, A; Sim, AT; Sakoff, JA Serine-threonine protein phosphatase inhibitors: development of potential therapeutic strategies. J Med Chem 45:1151-75 (2002) [PubMed] Article More Info.:
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:
BDBM50110693
Synonyms:
25-Cyclohexylmethyl-15-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-3,7,14,18,21-pentamethyl-6-methylene-2,5,8,13,17,20,24-heptaoxo-1,4,7,12,16,19hexaaza-cyclopentacosane-11,22-dicarboxylic acid | CHEMBL17060
Type:
Small organic molecule
Emp. Form.:
C50H72N6O12
Mol. Mass.:
949.1397
SMILES:
CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](CC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O
Structure:
