Ki Summary

Reaction Details

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Target

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform

Ligand

BDBM50061067

Substrate

n/a

Meas. Tech.

ChEMBL_161791 (CHEMBL768165)

IC50

0.065000±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

More Info.:

Get all data from this article, Assay Method

Target

Name:

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform

Synonyms:

2ABA_HUMAN | PPP2R2A | Serine/threonine protein phosphatase 2A, 55 kDa regulatory subunit B, alpha isoform

Type:

PROTEIN

Mol. Mass.:

51688.47

Organism:

Homo sapiens (Human)

Description:

ChEMBL_161791

Residue:

447

Sequence:

MAGAGGGNDIQWCFSQVKGAVDDDVAEADIISTVEFNHSGELLATGDKGGRVVIFQQEQENKIQSHSRGEYNVYSTFQSHEPEFDYLKSLEIEEKINKIRWLPQKNAAQFLLSTNDKTIKLWKISERDKRPEGYNLKEEDGRYRDPTTVTTLRVPVFRPMDLMVEASPRRIFANAHTYHINSISINSDYETYLSADDLRINLWHLEITDRSFNIVDIKPANMEELTEVITAAEFHPNSCNTFVYSSSKGTIRLCDMRASALCDRHSKLFEEPEDPSNRSFFSEIISSISDVKFSHSGRYMMTRDYLSVKIWDLNMENRPVETYQVHEYLRSKLCSLYENDCIFDKFECCWNGSDSVVMTGSYNNFFRMFDRNTKRDITLEASRENNKPRTVLKPRKVCASGKRKKDEISVDSLDFNKKILHTAWHPKENIIAVATTNNLYIFQDKVN

Inhibitor

Name:

BDBM50061067

Synonyms:

15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid | 15-(3-Guanidino-propyl)-8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid | 8-[3-amino(imino)methylaminopropyl]-15-isobutyl-5-[6-methoxy-3,5-dimethyl-7-phenyl-(1E,3E)-1,3-heptadienyl]-4,11,18,22-tetramethyl-21-methylene-3,7,10,14,17,20,23-heptaoxo-2,6,9,13,16,19,22-heptaazacyclopentacosane-1,12-dicarboxylic acid | CHEMBL444092 | Microcystin-LR

Type:

Small organic molecule

Emp. Form.:

C49H74N10O12

Mol. Mass.:

995.1717

SMILES:

CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)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: