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Target
Protein phosphatase 1B
Ligand
BDBM50135699
Substrate
n/a
Meas. Tech.
ChEMBL_161757 (CHEMBL767318)
IC50
0.300000±n/a nM
Citation
 Gulledge, BM; Aggen, JB; Eng, H; Sweimeh, K; Chamberlin, AR Microcystin analogues comprised only of Adda and a single additional amino acid retain moderate activity as PP1/PP2A inhibitors. Bioorg Med Chem Lett 13:2907-11 (2003) [PubMed]  Article 
Target
Name:
Protein phosphatase 1B
Synonyms:
PP2C-beta | PP2CB | PPM1B | PPM1B_HUMAN | Protein phosphatase 1B | Protein phosphatase 2C beta | Protein phosphatase 2C isoform beta
Type:
PROTEIN
Mol. Mass.:
52620.37
Organism:
Homo sapiens (Human)
Description:
ChEMBL_161756
Residue:
479
Sequence:
MGAFLDKPKTEKHNAHGAGNGLRYGLSSMQGWRVEMEDAHTAVVGIPHGLEDWSFFAVYDGHAGSRVANYCSTHLLEHITTNEDFRAAGKSGSALELSVENVKNGIRTGFLKIDEYMRNFSDLRNGMDRSGSTAVGVMISPKHIYFINCGDSRAVLYRNGQVCFSTQDHKPCNPREKERIQNAGGSVMIQRVNGSLAVSRALGDYDYKCVDGKGPTEQLVSPEPEVYEILRAEEDEFIILACDGIWDVMSNEELCEYVKSRLEVSDDLENVCNWVVDTCLHKGSRDNMSIVLVCFSNAPKVSDEAVKKDSELDKHLESRVEEIMEKSGEEGMPDLAHVMRILSAENIPNLPPGGGLAGKRNVIEAVYSRLNPHRESDGASDEAEESGSQGKLVEALRQMRINHRGNYRQLLEEMLTSYRLAKVEGEESPAEPAATATSSNSDAGNPVTMQESHTESESGLAELDSSNEDAGTKMSGEKI
  
Inhibitor
Name:
BDBM50135699
Synonyms:
(10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,15-tetramethyl-19-(R)-methyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid | (5R,8S,11R,12S,15S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid | CHEMBL421377
Type:
Small organic molecule
Emp. Form.:
C46H67N7O12
Mol. Mass.:
910.0639
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](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:
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