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Target
Phosphoethanolamine/phosphocholine phosphatase
Ligand
BDBM46646
Substrate
n/a
Meas. Tech.
ChEMBL_1448918 (CHEMBL3375685)
IC50
7500±n/a nM
Citation
 Bravo, Y; Teriete, P; Dhanya, RP; Dahl, R; Lee, PS; Kiffer-Moreira, T; Ganji, SR; Sergienko, E; Smith, LH; Farquharson, C; Millán, JL; Cosford, ND Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett 24:4308-11 (2014) [PubMed]  Article 
Target
Name:
Phosphoethanolamine/phosphocholine phosphatase
Synonyms:
PHOP1_HUMAN | PHOSPHO1 | phosphatase, orphan 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29718.09
Organism:
Homo sapiens (Human)
Description:
Q8TCT1
Residue:
267
Sequence:
MSGCFPVSGLRCLSRDGRMAAQGAPRFLLTFDFDETIVDENSDDSIVRAAPGQRLPESLRATYREGFYNEYMQRVFKYLGEQGVRPRDLSAIYEAIPLSPGMSDLLQFVAKQGACFEVILISDANTFGVESSLRAAGHHSLFRRILSNPSGPDARGLLALRPFHTHSCARCPANMCKHKVLSDYLRERAHDGVHFERLFYVGDGANDFCPMGLLAGGDVAFPRRGYPMHRLIQEAQKAEPSSFRASVVPWETAADVRLHLQQVLKSC
  
Inhibitor
Name:
BDBM46646
Synonyms:
2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-1,2-benzothiazol-3-one | 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-one | 2-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-1,2-benzothiazol-3-one | 2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-1,2-benzothiazol-3-one | MLS-0069818.0001 | cid_2327938
Type:
Small organic molecule
Emp. Form.:
C21H23N3O4S2
Mol. Mass.:
445.555
SMILES:
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
Structure:
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