Reaction Details Report a problem with these data
Target
Phosphoethanolamine/phosphocholine phosphatase
Ligand
BDBM46036
Substrate
n/a
Meas. Tech.
ChEMBL_1448918 (CHEMBL3375685)
IC50
810±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:
BDBM46036
Synonyms:
2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid | 2-[[3-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid | 2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid | MLS-0315803.0001 | cid_4089709
Type:
Small organic molecule
Emp. Form.:
C20H14N2O5S2
Mol. Mass.:
426.466
SMILES:
OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: