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Target
Protein phosphatase methylesterase 1
Ligand
BDBM75707
Substrate
n/a
Meas. Tech.
ChEMBL_879954 (CHEMBL2212403)
IC50
10±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:
BDBM75707
Synonyms:
(3R)-3-cyclopentyl-4-keto-3-phenyl-diazetidine-1,2-dicarboxylic acid dimethyl ester | (3R)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester | ML174 | SR-01000786812 | SR-01000786812-5 | cid_24856225 | dimethyl (3R)-3-cyclopentyl-4-oxidanylidene-3-phenyl-1,2-diazetidine-1,2-dicarboxylate | dimethyl (3R)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate
Type:
Small organic molecule
Emp. Form.:
C17H20N2O5
Mol. Mass.:
332.3511
SMILES:
COC(=O)N1N(C(=O)OC)[C@@](C2CCCC2)(C1=O)c1ccccc1
Structure:
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