Reaction Details Report a problem with these data
Target
Phosphoethanolamine/phosphocholine phosphatase
Ligand
BDBM46655
Substrate
n/a
Meas. Tech.
ChEMBL_1448918 (CHEMBL3375685)
IC50
1800±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
More Info.:
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:
BDBM46655
Synonyms:
2-(3-chloranyl-4-fluoranyl-phenyl)-1,2-benzothiazol-3-one | 2-(3-chloro-4-fluoro-phenyl)-1,2-benzothiazol-3-one | 2-(3-chloro-4-fluorophenyl)-1,2-benzothiazol-3-one | MLS-0315806.0001 | cid_4989572
Type:
Small organic molecule
Emp. Form.:
C13H7ClFNOS
Mol. Mass.:
279.717
SMILES:
Fc1ccc(cc1Cl)-n1sc2ccccc2c1=O