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Target
Protein phosphatase 1A
Ligand
BDBM50031908
Substrate
n/a
Meas. Tech.
ChEMBL_1438615 (CHEMBL3386720)
IC50
31800±n/a nM
Citation
 Hou, X; Li, R; Li, K; Yu, X; Sun, JP; Fang, H Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening. J Med Chem 57:9309-22 (2014) [PubMed]  Article 
Target
Name:
Protein phosphatase 1A
Synonyms:
IA | PP2C-alpha | PPM1A | PPM1A_HUMAN | PPPM1A | Protein phosphatase 1A | Protein phosphatase 2C alpha | Protein phosphatase 2C isoform alpha
Type:
PROTEIN
Mol. Mass.:
42435.70
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438615
Residue:
382
Sequence:
MGAFLDKPKMEKHNAQGQGNGLRYGLSSMQGWRVEMEDAHTAVIGLPSGLESWSFFAVYDGHAGSQVAKYCCEHLLDHITNNQDFKGSAGAPSVENVKNGIRTGFLEIDEHMRVMSEKKHGADRSGSTAVGVLISPQHTYFINCGDSRGLLCRNRKVHFFTQDHKPSNPLEKERIQNAGGSVMIQRVNGSLAVSRALGDFDYKCVHGKGPTEQLVSPEPEVHDIERSEEDDQFIILACDGIWDVMGNEELCDFVRSRLEVTDDLEKVCNEVVDTCLYKGSRDNMSVILICFPNAPKVSPEAVKKEAELDKYLECRVEEIIKKQGEGVPDLVHVMRTLASENIPSLPPGGELASKRNVIEAVYNRLNPYKNDDTDSTSTDDMW
  
Inhibitor
Name:
BDBM50031908
Synonyms:
CHEMBL3360906
Type:
Small organic molecule
Emp. Form.:
C27H19N5O3S4
Mol. Mass.:
589.731
SMILES:
Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Structure:
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