Reaction Details Report a problem with these data
Target
Phosphoethanolamine/phosphocholine phosphatase
Ligand
BDBM46038
Substrate
n/a
Meas. Tech.
ChEMBL_1448918 (CHEMBL3375685)
IC50
1200±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:
BDBM46038
Synonyms:
4-(3-keto-1,2-benzothiazol-2-yl)benzoic acid ethyl ester | 4-(3-oxo-1,2-benzothiazol-2-yl)benzoic acid ethyl ester | MLS-0315808.0001 | cid_2467794 | ethyl 4-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzoate | ethyl 4-(3-oxo-1,2-benzothiazol-2-yl)benzoate
Type:
Small organic molecule
Emp. Form.:
C16H13NO3S
Mol. Mass.:
299.344
SMILES:
CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: