Reaction Details Report a problem with these data
Target
Protein phosphatase 1B
Ligand
BDBM50097634
Substrate
n/a
Meas. Tech.
ChEBML_161755
IC50
126±n/a nM
Citation
 Frydrychowski, VA; Urbanek, RA; Dounay, AB; Forsyth, CJ Importance of the C28-C38 hydrophobic domain of okadaic acid for potent inhibition of protein serine-threonine phosphatases 1 and 2A. Bioorg Med Chem Lett 11:647-9 (2001) [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:
BDBM50097634
Synonyms:
CHEMBL158524 | OKADAIC ACID | okadaic acid analogue
Type:
Small organic molecule
Emp. Form.:
C44H68O13
Mol. Mass.:
805.0029
SMILES:
[H][C@@]12CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]4O)O3)O[C@@]1([H])[C@H](O)C(=C)[C@H](O2)[C@@H](O)C[C@H](C)[C@@]1([H])O[C@@]2(CCCCO2)CC[C@H]1C |r,c:17|
Structure:
Search PDB for entries with ligand similarity: