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Target
Protein phosphatase methylesterase 1
Ligand
BDBM50400986
Substrate
n/a
Meas. Tech.
ChEMBL_879948 (CHEMBL2212397)
IC50
600±n/a nM
Citation
 Bachovchin, DA; Zuhl, AM; Speers, AE; Wolfe, MR; Weerapana, E; Brown, SJ; Rosen, H; Cravatt, BF Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1. J Med Chem 54:5229-36 (2011) [PubMed]  Article 
Target
Name:
Protein phosphatase methylesterase 1
Synonyms:
PME1 | PPME1 | PPME1_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42310.94
Organism:
Homo sapiens (Human)
Description:
gi_7706645
Residue:
386
Sequence:
MSALEKSMHLGRLPSRPPLPGSGGSQSGAKMRMGPGRKRDFSPVPWSQYFESMEDVEVENETGKDTFRVYKSGSEGPVLLLLHGGGHSALSWAVFTAAIISRVQCRIVALDLRSHGETKVKNPEDLSAETMAKDVGNVVEAMYGDLPPPIMLIGHSMGGAIAVHTASSNLVPSLLGLCMIDVVEGTAMDALNSMQNFLRGRPKTFKSLENAIEWSVKSGQIRNLESARVSMVGQVKQCEGITSPEGSKSIVEGIIEEEEEDEEGSESISKRKKEDDMETKKDHPYTWRIELAKTEKYWDGWFRGLSNLFLSCPIPKLLLLAGVDRLDKDLTIGQMQGKFQMQVLPQCGHAVHEDAPDKVAEAVATFLIRHRFAEPIGGFQCVFPGC
  
Inhibitor
Name:
BDBM50400986
Synonyms:
CHEMBL1550905
Type:
Small organic molecule
Emp. Form.:
C19H12FN3O6S2
Mol. Mass.:
461.443
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cccc1\C=C(/C#N)S(=O)(=O)c1ccc(F)cc1
Structure:
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